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PDBsum entry 1k4c

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Membrane protein PDB id
1k4c

 

 

 

 

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Contents
Protein chains
219 a.a. *
212 a.a. *
103 a.a. *
Ligands
F09
DGA
Metals
__K ×7
Waters ×469
* Residue conservation analysis
PDB id:
1k4c
Name: Membrane protein
Title: Potassium channel kcsa-fab complex in high concentration of k+
Structure: Antibody fab fragment heavy chain. Chain: a. Antibody fab fragment light chain. Chain: b. Potassium channel kcsa. Chain: c. Fragment: potassium channel kcsa. Engineered: yes. Mutation: yes
Source: Mus musculus. House mouse. Organism_taxid: 10090. Streptomyces lividans. Organism_taxid: 1916. Expressed in: escherichia coli. Expression_system_taxid: 562
Biol. unit: Dodecamer (from PDB file)
Resolution:
2.00Å     R-factor:   0.218     R-free:   0.233
Authors: Y.Zhou,J.H.Morais-Cabral,A.Kaufman,R.Mackinnon
Key ref:
Y.Zhou et al. (2001). Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 A resolution. Nature, 414, 43-48. PubMed id: 11689936 DOI: 10.1038/35102009
Date:
07-Oct-01     Release date:   14-Nov-01    
PROCHECK
Go to PROCHECK summary
 Headers
 References

Protein chain
No UniProt id for this chain
Struc: 219 a.a.
Protein chain
No UniProt id for this chain
Struc: 212 a.a.
Protein chain
Pfam   ArchSchema ?
P0A334  (KCSA_STRLI) -  pH-gated potassium channel KcsA from Streptomyces lividans
Seq:
Struc:
160 a.a.
103 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 

 
DOI no: 10.1038/35102009 Nature 414:43-48 (2001)
PubMed id: 11689936  
 
 
Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 A resolution.
Y.Zhou, J.H.Morais-Cabral, A.Kaufman, R.MacKinnon.
 
  ABSTRACT  
 
Ion transport proteins must remove an ion's hydration shell to coordinate the ion selectively on the basis of its size and charge. To discover how the K+ channel solves this fundamental aspect of ion conduction, we solved the structure of the KcsA K+ channel in complex with a monoclonal Fab antibody fragment at 2.0 A resolution. Here we show how the K+ channel displaces water molecules around an ion at its extracellular entryway, and how it holds a K+ ion in a square antiprism of water molecules in a cavity near its intracellular entryway. Carbonyl oxygen atoms within the selectivity filter form a very similar square antiprism around each K+ binding site, as if to mimic the waters of hydration. The selectivity filter changes its ion coordination structure in low K+ solutions. This structural change is crucial to the operation of the selectivity filter in the cellular context, where the K+ ion concentration near the selectivity filter varies in response to channel gating.
 
  Selected figure(s)  
 
Figure 2.
Figure 2: Stereo view of electron density in the region of the K+ channel selectivity filter. The 2F[o] - F[c] electron density map (contoured at 2 ) covers amino acids forming the selectivity filter (two diagonally opposed subunits are shown), with K+ ions (green spheres) along the ion pathway, and water molecules (red spheres) in the vicinity.
Figure 3.
Figure 3: Stereo view of a hydrated K+ ion in the central cavity. Eight water molecules (red spheres) surround a single K+ ion (green sphere) in the cavity. The 2F[o] - F[c] electron density map is contoured at 2 . Residues forming the cavity are shown in ball-and-stick representation. For clarity, only backbone atoms and the side chains facing the cavity (Thr 75, Ile 100, Phe 103, Gly 104 and Thr 107) are shown. The subunit closest to the viewer has been removed.
 
  The above figures are reprinted by permission from Macmillan Publishers Ltd: Nature (2001, 414, 43-48) copyright 2001.  
  Figures were selected by an automated process.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
22743979 A.D.Lawson (2012).
Antibody-enabled small-molecule drug discovery.
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22139424 P.Yuan, M.D.Leonetti, Y.Hsiung, and R.MacKinnon (2012).
Open structure of the Ca2+ gating ring in the high-conductance Ca2+-activated K+ channel.
  Nature, 481, 94-97.
PDB code: 3u6n
22231399 V.N.Bavro, R.De Zorzi, M.R.Schmidt, J.R.Muniz, L.Zubcevic, M.S.Sansom, C.Vénien-Bryan, and S.J.Tucker (2012).
Structure of a KirBac potassium channel with an open bundle crossing indicates a mechanism of channel gating.
  Nat Struct Mol Biol, 19, 158-163.
PDB code: 3zrs
  21518828 A.Alam, and Y.Jiang (2011).
Structural studies of ion selectivity in tetrameric cation channels.
  J Gen Physiol, 137, 397-403.  
21220117 C.Boiteux, and S.Bernèche (2011).
Absence of ion-binding affinity in the putatively inactivated low-[K+] structure of the KcsA potassium channel.
  Structure, 19, 70-79.  
  21518829 C.M.Nimigean, and T.W.Allen (2011).
Origins of ion selectivity in potassium channels from the perspective of channel block.
  J Gen Physiol, 137, 405-413.  
21322711 I.Waluyo, C.Huang, D.Nordlund, U.Bergmann, T.M.Weiss, L.G.Pettersson, and A.Nilsson (2011).
The structure of water in the hydration shell of cations from x-ray Raman and small angle x-ray scattering measurements.
  J Chem Phys, 134, 064513.  
21217145 J.C.Pai, J.A.Culver, J.E.Drury, R.S.Motani, R.L.Lieberman, and J.A.Maynard (2011).
Conversion of scFv peptide-binding specificity for crystal chaperone development.
  Protein Eng Des Sel, 24, 419-428.  
21283586 L.Zúñiga, V.Márquez, F.D.González-Nilo, C.Chipot, L.P.Cid, F.V.Sepúlveda, and M.I.Niemeyer (2011).
Gating of a pH-Sensitive K(2P) Potassium Channel by an Electrostatic Effect of Basic Sensor Residues on the Selectivity Filter.
  PLoS One, 6, e16141.  
21187421 M.G.Derebe, D.B.Sauer, W.Zeng, A.Alam, N.Shi, and Y.Jiang (2011).
Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites.
  Proc Natl Acad Sci U S A, 108, 598-602.
PDB codes: 3k03 3ouf 3ous
21187429 M.G.Derebe, W.Zeng, Y.Li, A.Alam, and Y.Jiang (2011).
Structural studies of ion permeation and Ca2+ blockage of a bacterial channel mimicking the cyclic nucleotide-gated channel pore.
  Proc Natl Acad Sci U S A, 108, 592-597.
PDB codes: 3k04 3k06 3k08 3k0d 3k0g
21296164 N.Monroe, G.Sennhauser, M.A.Seeger, C.Briand, and M.G.Grütter (2011).
Designed ankyrin repeat protein binders for the crystallization of AcrB: Plasticity of the dominant interface.
  J Struct Biol, 174, 269-281.
PDB codes: 3noc 3nog
  21518831 P.D.Dixit, and D.Asthagiri (2011).
Thermodynamics of ion selectivity in the KcsA K+ channel.
  J Gen Physiol, 137, 427-433.  
21397182 P.Mitra, and D.Pal (2011).
Combining Bayes classification and point group symmetry under Boolean framework for enhanced protein quaternary structure inference.
  Structure, 19, 304-312.  
21186363 S.Chakrapani, J.F.Cordero-Morales, V.Jogini, A.C.Pan, D.M.Cortes, B.Roux, and E.Perozo (2011).
On the structural basis of modal gating behavior in K(+) channels.
  Nat Struct Mol Biol, 18, 67-74.
PDB codes: 3or6 3or7
21376013 T.A.Liu, H.K.Chang, and R.C.Shieh (2011).
Extracellular K(+) elevates outward currents through Kir2.1 channels by increasing single-channel conductance.
  Biochim Biophys Acta, 1808, 1772-1778.  
21287624 V.Babin, C.Roland, and C.Sagui (2011).
The α-sheet: A missing-in-action secondary structure?
  Proteins, 79, 937-946.  
21402935 W.W.Cheng, J.G.McCoy, A.N.Thompson, C.G.Nichols, and C.M.Nimigean (2011).
Mechanism for selectivity-inactivation coupling in KcsA potassium channels.
  Proc Natl Acad Sci U S A, 108, 5272-5277.
PDB code: 3ogc
21317882 Y.Cao, X.Jin, H.Huang, M.G.Derebe, E.J.Levin, V.Kabaleeswaran, Y.Pan, M.Punta, J.Love, J.Weng, M.Quick, S.Ye, B.Kloss, R.Bruni, E.Martinez-Hackert, W.A.Hendrickson, B.Rost, J.A.Javitch, K.R.Rajashankar, Y.Jiang, and M.Zhou (2011).
Crystal structure of a potassium ion transporter, TrkH.
  Nature, 471, 336-340.
PDB code: 3pjz
19902533 A.Anishkin, A.L.Milac, and H.R.Guy (2010).
Symmetry-restrained molecular dynamics simulations improve homology models of potassium channels.
  Proteins, 78, 932-949.  
19910368 A.Marsico, K.Scheubert, A.Tuukkanen, A.Henschel, C.Winter, R.Winnenburg, and M.Schroeder (2010).
MeMotif: a database of linear motifs in alpha-helical transmembrane proteins.
  Nucleic Acids Res, 38, D181-D189.  
20862428 A.Negoda, E.Negoda, and R.N.Reusch (2010).
Importance of oligo-R-3-hydroxybutyrates to S. lividans KcsA channel structure and function.
  Mol Biosyst, 6, 2249-2255.  
  20937694 A.S.Thomson, and B.S.Rothberg (2010).
Voltage-dependent inactivation gating at the selectivity filter of the MthK K+ channel.
  J Gen Physiol, 136, 569-579.  
20829480 C.Y.Lee, W.Choi, J.H.Han, and M.S.Strano (2010).
Coherence resonance in a single-walled carbon nanotube ion channel.
  Science, 329, 1320-1324.  
  20038524 D.Rotem, A.Mason, and H.Bayley (2010).
Inactivation of the KcsA potassium channel explored with heterotetramers.
  J Gen Physiol, 135, 29-42.  
20018952 E.D.Burg, O.Platoshyn, I.F.Tsigelny, B.Lozano-Ruiz, B.K.Rana, and J.X.Yuan (2010).
Tetramerization domain mutations in KCNA5 affect channel kinetics and cause abnormal trafficking patterns.
  Am J Physiol Cell Physiol, 298, C496-C509.  
19950367 E.J.Denning, and T.B.Woolf (2010).
Cooperative nature of gating transitions in K(+) channels as seen from dynamic importance sampling calculations.
  Proteins, 78, 1105-1119.  
20622857 G.J.Bartlett, A.Choudhary, R.T.Raines, and D.N.Woolfson (2010).
n-->pi* interactions in proteins.
  Nat Chem Biol, 6, 615-620.  
  19827141 H.Wu, A.Canfield, J.Adhikari, and S.Huo (2010).
Quantum mechanical studies on model alpha-pleated sheets.
  J Comput Chem, 31, 1216-1223.  
21057111 H.Yu, S.Y.Noskov, and B.Roux (2010).
Two mechanisms of ion selectivity in protein binding sites.
  Proc Natl Acad Sci U S A, 107, 20329-20334.  
20498088 I.Maslennikov, C.Klammt, E.Hwang, G.Kefala, M.Okamura, L.Esquivies, K.Mörs, C.Glaubitz, W.Kwiatkowski, Y.H.Jeon, and S.Choe (2010).
Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis.
  Proc Natl Acad Sci U S A, 107, 10902-10907.
PDB codes: 2ksd 2kse 2ksf
20092291 J.A.Cieslak, P.J.Focia, and A.Gross (2010).
Electron spin-echo envelope modulation (ESEEM) reveals water and phosphate interactions with the KcsA potassium channel.
  Biochemistry, 49, 1486-1494.
PDB code: 3ifx
20739007 J.K.Lee, and R.M.Stroud (2010).
Unlocking the eukaryotic membrane protein structural proteome.
  Curr Opin Struct Biol, 20, 464-470.  
19665988 J.M.Kielec, K.G.Valentine, and A.J.Wand (2010).
A method for solution NMR structural studies of large integral membrane proteins: reverse micelle encapsulation.
  Biochim Biophys Acta, 1798, 150-160.  
20146282 K.M.Thai, A.Windisch, D.Stork, A.Weinzinger, A.Schiesaro, R.H.Guy, E.N.Timin, S.Hering, and G.F.Ecker (2010).
The hERG potassium channel and drug trapping: insight from docking studies with propafenone derivatives.
  ChemMedChem, 5, 436-442.  
19826804 K.McLuskey, A.W.Roszak, Y.Zhu, and N.W.Isaacs (2010).
Crystal structures of all-alpha type membrane proteins.
  Eur Biophys J, 39, 723-755.  
20667175 K.R.Vinothkumar, and R.Henderson (2010).
Structures of membrane proteins.
  Q Rev Biophys, 43, 65.  
20356872 K.Yoshimura, and M.Sokabe (2010).
Mechanosensitivity of ion channels based on protein-lipid interactions.
  J R Soc Interface, 7, S307-S320.  
  20176855 L.Dai, V.Garg, and M.C.Sanguinetti (2010).
Activation of Slo2.1 channels by niflumic acid.
  J Gen Physiol, 135, 275-295.  
20138880 L.G.Cuello, D.M.Cortes, V.Jogini, A.Sompornpisut, and E.Perozo (2010).
A molecular mechanism for proton-dependent gating in KcsA.
  FEBS Lett, 584, 1126-1132.  
20613845 L.G.Cuello, V.Jogini, D.M.Cortes, A.C.Pan, D.G.Gagnon, O.Dalmas, J.F.Cordero-Morales, S.Chakrapani, B.Roux, and E.Perozo (2010).
Structural basis for the coupling between activation and inactivation gates in K(+) channels.
  Nature, 466, 272-275.
PDB code: 3hpl
20153331 L.G.Cuello, V.Jogini, D.M.Cortes, A.Sompornpisut, M.D.Purdy, M.C.Wiener, and E.Perozo (2010).
Design and characterization of a constitutively open KcsA.
  FEBS Lett, 584, 1133-1138.  
20613835 L.G.Cuello, V.Jogini, D.M.Cortes, and E.Perozo (2010).
Structural mechanism of C-type inactivation in K(+) channels.
  Nature, 466, 203-208.  
  20975702 M.Li, T.Kawate, S.D.Silberberg, and K.J.Swartz (2010).
Pore-opening mechanism in trimeric P2X receptor channels.
  Nat Commun, 1, 1-7.  
19898862 M.Mazzolini, A.Marchesi, A.Giorgetti, and V.Torre (2010).
Gating in CNGA1 channels.
  Pflugers Arch, 459, 547-555.  
20349498 M.R.Doddareddy, E.C.Klaasse, Shagufta, A.P.Ijzerman, and A.Bender (2010).
Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases.
  ChemMedChem, 5, 716-729.  
20231479 M.Ă.˜.Jensen, D.W.Borhani, K.Lindorff-Larsen, P.Maragakis, V.Jogini, M.P.Eastwood, R.O.Dror, and D.E.Shaw (2010).
Principles of conduction and hydrophobic gating in K+ channels.
  Proc Natl Acad Sci U S A, 107, 5833-5838.  
20564790 O.B.Clarke, A.T.Caputo, A.P.Hill, J.I.Vandenberg, B.J.Smith, and J.M.Gulbis (2010).
Domain reorientation and rotation of an intracellular assembly regulate conduction in Kir potassium channels.
  Cell, 141, 1018-1029.
PDB codes: 2wlh 2wli 2wlj 2wlk 2wll 2wlm 2wln 2wlo 2x6a 2x6b 2x6c
20965773 P.J.Focke, and F.I.Valiyaveetil (2010).
Studies of ion channels using expressed protein ligation.
  Curr Opin Chem Biol, 14, 797-802.  
20806355 P.Sundaram, W.M.Wells, R.V.Mulkern, E.J.Bubrick, E.B.Bromfield, M.Münch, and D.B.Orbach (2010).
Fast human brain magnetic resonance responses associated with epileptiform spikes.
  Magn Reson Med, 64, 1728-1738.  
20479982 R.Cervenka, T.Zarrabi, P.Lukacs, and H.Todt (2010).
The outer vestibule of the Na+ channel-toxin receptor and modulator of permeation as well as gating.
  Mar Drugs, 8, 1373-1393.  
20393123 R.S.Norton, and J.M.Gulbis (2010).
Potassium channel gating: not an open and shut case.
  Proc Natl Acad Sci U S A, 107, 7623-7624.  
20212150 S.Imai, M.Osawa, K.Takeuchi, and I.Shimada (2010).
Structural basis underlying the dual gate properties of KcsA.
  Proc Natl Acad Sci U S A, 107, 6216-6221.  
20138059 S.J.Stahl, N.R.Watts, C.Rader, M.A.DiMattia, R.G.Mage, I.Palmer, J.D.Kaufman, J.M.Grimes, D.I.Stuart, A.C.Steven, and P.T.Wingfield (2010).
Generation and characterization of a chimeric rabbit/human Fab for co-crystallization of HIV-1 Rev.
  J Mol Biol, 397, 697-708.  
19728176 S.M.Sine, H.L.Wang, S.Hansen, and P.Taylor (2010).
On the origin of ion selectivity in the Cys-loop receptor family.
  J Mol Neurosci, 40, 70-76.  
20616256 S.Weyand, and S.Iwata (2010).
Biochemistry. Old gate gets a new look.
  Science, 329, 151-152.  
20676101 S.Ye, Y.Li, and Y.Jiang (2010).
Novel insights into K+ selectivity from high-resolution structures of an open K+ channel pore.
  Nat Struct Mol Biol, 17, 1019-1023.
PDB codes: 3ldc 3ldd 3lde
20926383 T.Zarrabi, R.Cervenka, W.Sandtner, P.Lukacs, X.Koenig, K.Hilber, M.Mille, G.M.Lipkind, H.A.Fozzard, and H.Todt (2010).
A molecular switch between the outer and the inner vestibules of the voltage-gated Na+ channel.
  J Biol Chem, 285, 39458-39470.  
20179828 Z.S.Siwy, and S.Howorka (2010).
Engineered voltage-responsive nanopores.
  Chem Soc Rev, 39, 1115-1132.  
19098915 A.Alam, and Y.Jiang (2009).
Structural analysis of ion selectivity in the NaK channel.
  Nat Struct Mol Biol, 16, 35-41.
PDB codes: 3e83 3e89 3e8b 3e8f 3e8g 3e8h
19098917 A.Alam, and Y.Jiang (2009).
High-resolution structure of the open NaK channel.
  Nat Struct Mol Biol, 16, 30-34.
PDB code: 3e86
  20948675 A.B.Tobin (2009).
G-protein-coupled receptor structure: what can we learn?
  F1000 Biol Rep, 1, 0.  
  19803500 A.G.Komarov, K.M.Linn, J.J.Devereaux, and F.I.Valiyaveetil (2009).
Modular strategy for the semisynthesis of a K+ channel: investigating interactions of the pore helix.
  ACS Chem Biol, 4, 1029-1038.  
  19564427 A.Kollewe, A.Y.Lau, A.Sullivan, Benoît Roux, and S.A.Goldstein (2009).
A structural model for K2P potassium channels based on 23 pairs of interacting sites and continuum electrostatics.
  J Gen Physiol, 134, 53-68.  
19946269 A.N.Thompson, I.Kim, T.D.Panosian, T.M.Iverson, T.W.Allen, and C.M.Nimigean (2009).
Mechanism of potassium-channel selectivity revealed by Na(+) and Li(+) binding sites within the KcsA pore.
  Nat Struct Mol Biol, 16, 1317-1324.
PDB codes: 3gb7 3iga
19919160 B.Endeward, J.A.Butterwick, R.MacKinnon, and T.F.Prisner (2009).
Pulsed electron-electron double-resonance determination of spin-label distances and orientations on the tetrameric potassium ion channel KcsA.
  J Am Chem Soc, 131, 15246-15250.  
  19720962 B.Liu, J.Yao, Y.Wang, H.Li, and F.Qin (2009).
Proton inhibition of unitary currents of vanilloid receptors.
  J Gen Physiol, 134, 243-258.  
19574955 B.Wu, C.Steinbronn, M.Alsterfjord, T.Zeuthen, and E.Beitz (2009).
Concerted action of two cation filters in the aquaporin water channel.
  EMBO J, 28, 2188-2194.  
19113860 C.A.Ahern, and W.R.Kobertz (2009).
Chemical tools for K(+) channel biology.
  Biochemistry, 48, 517-526.  
19661921 C.Ader, R.Schneider, S.Hornig, P.Velisetty, V.Vardanyan, K.Giller, I.Ohmert, S.Becker, O.Pongs, and M.Baldus (2009).
Coupling of activation and inactivation gate in a K+-channel: potassium and ligand sensitivity.
  EMBO J, 28, 2825-2834.  
19617541 C.Chaudhry, A.J.Plested, P.Schuck, and M.L.Mayer (2009).
Energetics of glutamate receptor ligand binding domain dimer assembly are modulated by allosteric ions.
  Proc Natl Acad Sci U S A, 106, 12329-12334.  
19339978 D.C.Gadsby (2009).
Ion channels versus ion pumps: the principal difference, in principle.
  Nat Rev Mol Cell Biol, 10, 344-352.  
19486671 D.L.Bostick, and C.L.Brooks (2009).
Statistical determinants of selective ionic complexation: ions in solvent, transport proteins, and other "hosts".
  Biophys J, 96, 4470-4492.  
19256626 E.Abad, J.Reingruber, and M.S.Sansom (2009).
On a novel rate theory for transport in narrow ion channels and its application to the study of flux optimization via geometric effects.
  J Chem Phys, 130, 085101.  
19641589 E.B.Gonzales, T.Kawate, and E.Gouaux (2009).
Pore architecture and ion sites in acid-sensing ion channels and P2X receptors.
  Nature, 460, 599-604.
PDB codes: 3hgc 3ij4 4nyk
  20948602 E.C.Minnihan, K.Yokoyama, and J.Stubbe (2009).
Unnatural amino acids: better than the real things?
  F1000 Biol Rep, 1, 0.  
19834614 F.C.Chatelain, S.Gazzarrini, Y.Fujiwara, C.Arrigoni, C.Domigan, G.Ferrara, C.Pantoja, G.Thiel, A.Moroni, and D.L.Minor (2009).
Selection of inhibitor-resistant viral potassium channels identifies a selectivity filter site that affects barium and amantadine block.
  PLoS One, 4, e7496.  
19545635 G.M.Clayton, S.G.Aller, J.Wang, V.Unger, and J.H.Morais-Cabral (2009).
Combining electron crystallography and X-ray crystallography to study the MlotiK1 cyclic nucleotide-regulated potassium channel.
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  19723817 H.R.Dahmani, P.Schneeberger, and I.M.Kramer (2009).
Analysis of students' aptitude to provide meaning to images that represent cellular components at the molecular level.
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19489546 H.Yu, S.Y.Noskov, and B.Roux (2009).
Hydration number, topological control, and ion selectivity.
  J Phys Chem B, 113, 8725-8730.  
19376768 I.Grunwald, K.Rischka, S.M.Kast, T.Scheibel, and H.Bargel (2009).
Mimicking biopolymers on a molecular scale: nano(bio)technology based on engineered proteins.
  Philos Transact A Math Phys Eng Sci, 367, 1727-1747.  
19329803 J.L.Neira (2009).
The positively charged C-terminal region of the inactivating Shaker B peptide binds to the potassium channel KcsA.
  Protein Eng Des Sel, 22, 341-347.  
19254856 J.P.Newstadt, D.J.Mayo, J.J.Inbaraj, N.Subbaraman, and G.A.Lorigan (2009).
Determining the helical tilt of membrane peptides using electron paramagnetic resonance spectroscopy.
  J Magn Reson, 198, 1-7.  
  19635856 J.R.Martínez-François, Y.Xu, and Z.Lu (2009).
Mutations reveal voltage gating of CNGA1 channels in saturating cGMP.
  J Gen Physiol, 134, 151-164.  
19139152 L.Wang, A.T.Dennis, P.Trieu, F.Charron, N.Ethier, T.E.Hebert, X.Wan, and E.Ficker (2009).
Intracellular potassium stabilizes human ether-à-go-go-related gene channels for export from endoplasmic reticulum.
  Mol Pharmacol, 75, 927-937.  
19419220 M.H.Cheng, Y.Xu, and P.Tang (2009).
Anionic lipid and cholesterol interactions with alpha4beta2 nAChR: insights from MD simulations.
  J Phys Chem B, 113, 6964-6970.  
19265197 M.Kudrnac, S.Beyl, A.Hohaus, A.Stary, T.Peterbauer, E.Timin, and S.Hering (2009).
Coupled and Independent Contributions of Residues in IS6 and IIS6 to Activation Gating of CaV1.2.
  J Biol Chem, 284, 12276-12284.  
  19289572 M.Mazzolini, C.Anselmi, and V.Torre (2009).
The analysis of desensitizing CNGA1 channels reveals molecular interactions essential for normal gating.
  J Gen Physiol, 133, 375-386.  
19609355 M.Pellegrini-Calace, T.Maiwald, and J.M.Thornton (2009).
PoreWalker: a novel tool for the identification and characterization of channels in transmembrane proteins from their three-dimensional structure.
  PLoS Comput Biol, 5, e1000440.  
19890386 N.D'Avanzo, R.Pekhletski, and P.H.Backx (2009).
P-loop residues critical for selectivity in K channels fail to confer selectivity to rabbit HCN4 channels.
  PLoS One, 4, e7712.  
19706485 N.Y.Yount, D.Kupferwasser, A.Spisni, S.M.Dutz, Z.H.Ramjan, S.Sharma, A.J.Waring, and M.R.Yeaman (2009).
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Polymer-driven crystallization.
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Tuning ion coordination architectures to enable selective partitioning.
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17472437 S.W.Lockless, M.Zhou, and R.MacKinnon (2007).
Structural and thermodynamic properties of selective ion binding in a K+ channel.
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PDB codes: 2itc 2itd 2nlj
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Importance of hydration and dynamics on the selectivity of the KcsA and NaK channels.
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17362089 T.Baßtuğ, and S.Kuyucak (2007).
Free energy simulations of single and double ion occupancy in gramicidin A.
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Locating missing water molecules in protein cavities by the three-dimensional reference interaction site model theory of molecular solvation.
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17698000 X.Chen, B.K.Poon, A.Dousis, Q.Wang, and J.Ma (2007).
Normal-mode refinement of anisotropic thermal parameters for potassium channel KcsA at 3.2 A crystallographic resolution.
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PDB code: 2qto
17534481 X.Liang, D.J.Campopiano, and P.J.Sadler (2007).
Metals in membranes.
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Anti-calmodulins and tricyclic adjuvants in pain therapy block the TRPV1 channel.
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16612389 A.Lange, K.Giller, S.Hornig, M.F.Martin-Eauclaire, O.Pongs, S.Becker, and M.Baldus (2006).
Toxin-induced conformational changes in a potassium channel revealed by solid-state NMR.
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Locking CNGA1 channels in the open and closed state.
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Understanding ion channel selectivity and gating and their role in cellular signalling.
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A cation-pi interaction between extracellular TEA and an aromatic residue in potassium channels.
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17206516 C.C.Quinn, and T.Begenisich (2006).
Pharmacology and surface electrostatics of the K channel outer pore vestibule.
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17086202 C.Dong, K.Beis, J.Nesper, A.L.Brunkan-Lamontagne, B.R.Clarke, C.Whitfield, and J.H.Naismith (2006).
Wza the translocon for E. coli capsular polysaccharides defines a new class of membrane protein.
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PDB code: 2j58
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Mimicking solvent shells in the gas phase. II. Solvation of K+.
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Ion selectivity in a semisynthetic K+ channel locked in the conductive conformation.
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PDB codes: 2ih1 2ih3
16939283 F.I.Valiyaveetil, M.Sekedat, R.MacKinnon, and T.W.Muir (2006).
Structural and functional consequences of an amide-to-ester substitution in the selectivity filter of a potassium channel.
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PDB codes: 2h8p 2hfe 2hg5
16844753 F.Khalili-Araghi, E.Tajkhorshid, and K.Schulten (2006).
Dynamics of K+ ion conduction through Kv1.2.
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16460288 G.Owsianik, K.Talavera, T.Voets, and B.Nilius (2006).
Permeation and selectivity of TRP channels.
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Cross talk between activation and slow inactivation gates of Shaker potassium channels.
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16965045 H.Liu, S.Murad, and C.J.Jameson (2006).
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16533837 H.Sackin, M.Nanazashvili, L.G.Palmer, and H.Li (2006).
Role of conserved glycines in pH gating of Kir1.1 (ROMK).
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17025587 H.W.de Haan, I.S.Tolokh, C.G.Gray, and S.Goldman (2006).
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16533848 I.H.Shrivastava, and I.Bahar (2006).
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16299086 J.Bronson, O.S.Lee, and J.G.Saven (2006).
Molecular Dynamics Simulation of WSK-3, a Computationally Designed, Water-Soluble Variant of the Integral Membrane Protein KcsA.
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16962968 J.E.Milner-White, J.D.Watson, G.Qi, and S.Hayward (2006).
Amyloid formation may involve alpha- to beta sheet interconversion via peptide plane flipping.
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Molecular determinants of gating at the potassium-channel selectivity filter.
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PDB codes: 1zwi 2atk
16522799 J.H.Chill, J.M.Louis, C.Miller, and A.Bax (2006).
NMR study of the tetrameric KcsA potassium channel in detergent micelles.
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17013683 J.H.Chill, J.M.Louis, J.L.Baber, and A.Bax (2006).
Measurement of 15N relaxation in the detergent-solubilized tetrameric KcsA potassium channel.
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17010644 J.Hoffmann, A.Gorodetskaia, and M.Hollmann (2006).
Ion pore properties of ionotropic glutamate receptors are modulated by a transplanted potassium channel selectivity filter.
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16902408 J.Payandeh, and E.F.Pai (2006).
A structural basis for Mg2+ homeostasis and the CorA translocation cycle.
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PDB codes: 2hn1 2hn2
16342124 J.R.Pfeifer, P.Reiss, and U.Koert (2006).
Crown ether-gramicidin hybrid ion channels: dehydration-assisted ion selectivity.
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Structural characterization and pH-induced conformational transition of full-length KcsA.
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hERG potassium channels and cardiac arrhythmia.
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Clustering and coupled gating modulate the activity in KcsA, a potassium channel model.
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Structures and phase transition of multi-layered water nanotube confined to nanochannels.
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16794779 N.Ge, and P.Linsdell (2006).
Interactions between impermeant blocking ions in the cystic fibrosis transmembrane conductance regulator chloride channel pore: evidence for anion-induced conformational changes.
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Atomic structure of a Na+- and K+-conducting channel.
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PDB codes: 2ahy 2ahz
16829701 O.Beckstein, and M.S.Sansom (2006).
A hydrophobic gate in an ion channel: the closed state of the nicotinic acetylcholine receptor.
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17096075 P.Escoubas (2006).
Molecular diversification in spider venoms: a web of combinatorial peptide libraries.
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16863470 P.J.Stansfeld, M.J.Sutcliffe, and J.S.Mitcheson (2006).
Molecular mechanisms for drug interactions with hERG that cause long QT syndrome.
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16157656 P.Linsdell (2006).
Mechanism of chloride permeation in the cystic fibrosis transmembrane conductance regulator chloride channel.
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Relationship between pore occupancy and gating in BK potassium channels.
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The pharmacology of cyclic nucleotide-gated channels: emerging from the darkness.
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16500980 S.A.Spronk, D.E.Elmore, and D.A.Dougherty (2006).
Voltage-dependent hydration and conduction properties of the hydrophobic pore of the mechanosensitive channel of small conductance.
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Application of the Poisson-Nernst-Planck theory with space-dependent diffusion coefficients to KcsA.
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16341087 S.Lobet, and R.Dutzler (2006).
Ion-binding properties of the ClC chloride selectivity filter.
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PDB codes: 2exw 2exy 2ez0
16272446 S.S.Deol, C.Domene, P.J.Bond, and M.S.Sansom (2006).
Anionic phospholipid interactions with the potassium channel KcsA: simulation studies.
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Crystal structures of a ligand-free MthK gating ring: insights into the ligand gating mechanism of K+ channels.
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PDB code: 2fy8
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Structure of anti-FLAG M2 Fab domain and its use in the stabilization of engineered membrane proteins.
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PDB code: 2g60
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Membrane biology: permutations of permeability.
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A single P-loop glutamate point mutation to either lysine or arginine switches the cation-anion selectivity of the CNGA2 channel.
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A conserved ring of charge in mammalian Na+ channels: a molecular regulator of the outer pore conformation during slow inactivation.
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16436386 Y.Matoba, T.Kumagai, A.Yamamoto, H.Yoshitsu, and M.Sugiyama (2006).
Crystallographic evidence that the dinuclear copper center of tyrosinase is flexible during catalysis.
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PDB codes: 1wx2 1wx3 1wx4 1wx5 1wxc 2ahk 2ahl 2zmx
16790427 Y.Wei, and D.Fu (2006).
Binding and transport of metal ions at the dimer interface of the Escherichia coli metal transporter YiiP.
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16326912 Z.A.Sands, A.Grottesi, and M.S.Sansom (2006).
The intrinsic flexibility of the Kv voltage sensor and its implications for channel gating.
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Homology modeling and molecular dynamics simulations of transmembrane domain structure of human neuronal nicotinic acetylcholine receptor.
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16880984 A.G.Lee (2005).
How lipids and proteins interact in a membrane: a molecular approach.
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15951376 A.Giorgetti, P.Carloni, P.Mistrik, and V.Torre (2005).
A homology model of the pore region of HCN channels.
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15816177 A.Grottesi, C.Domene, S.Haider, and M.S.Sansom (2005).
Molecular dynamics simulation approaches to K channels: conformational flexibility and physiological function.
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Potassium channels: complete and undistorted.
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Biomolecular rods and tubes in nanotechnology.
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16040756 A.Rivetta, C.Slayman, and T.Kuroda (2005).
Quantitative modeling of chloride conductance in yeast TRK potassium transporters.
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16133265 A.Roller, G.Natura, H.Bihler, C.L.Slayman, C.Eing, and A.Bertl (2005).
In the yeast potassium channel, Tok1p, the external ring of aspartate residues modulates both gating and conductance.
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15821171 A.Staruschenko, E.Adams, R.E.Booth, and J.D.Stockand (2005).
Epithelial Na+ channel subunit stoichiometry.
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Gating charge displacement in voltage-gated ion channels involves limited transmembrane movement.
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15890656 B.Gilquin, S.Braud, M.A.Eriksson, B.Roux, T.D.Bailey, B.T.Priest, M.L.Garcia, A.Ménez, and S.Gasparini (2005).
A variable residue in the pore of Kv1 channels is critical for the high affinity of blockers from sea anemones and scorpions.
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15869387 B.Roux (2005).
Ion conduction and selectivity in K(+) channels.
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Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.
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Shedding light on membrane proteins.
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An arginine residue in the pore region is a key determinant of chloride dependence in cardiac pacemaker channels.
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Bend to open?
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Principles of selective ion transport in channels and pumps.
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Rapid intracellular TEA block of the KcsA potassium channel.
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16157278 F.C.Chatelain, N.Alagem, Q.Xu, R.Pancaroglu, E.Reuveny, and D.L.Minor (2005).
The pore helix dipole has a minor role in inward rectifier channel function.
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New tetragonal form of reaction centers from Rhodobacter sphaeroides and the involvement of a manganese ion at a crystal contact point.
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Coupled K+-water flux through the HERG potassium channel measured by an osmotic pulse method.
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16224118 H.X.Zhou (2005).
How do biomolecular systems speed up and regulate rates?
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Non-Michaelis-Menten kinetics model for conductance of low-conductance potassium ion channels.
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Two stable, conducting conformations of the selectivity filter in Shaker K+ channels.
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16043693 K.Oxenoid, and J.J.Chou (2005).
The structure of phospholamban pentamer reveals a channel-like architecture in membranes.
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PDB code: 1zll
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Activation-coupled inactivation in the bacterial potassium channel KcsA.
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Properties of integral membrane protein structures: derivation of an implicit membrane potential.
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Targeted molecular dynamics of an open-state KcsA channel.
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Organic compatible solutes of halotolerant and halophilic microorganisms.
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Structural basis of TEA blockade in a model potassium channel.
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PDB codes: 2bob 2boc
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K channel subconductance levels result from heteromeric pore conformations.
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Prokaryotic K(+) channels: from crystal structures to diversity.
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Functional role and affinity of inorganic cations in stabilizing the tetrameric structure of the KcsA K+ channel.
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Sodium permeability of a cloned small-conductance calcium-activated potassium channel.
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All four putative selectivity filter glycine residues in KtrB are essential for high affinity and selective K+ uptake by the KtrAB system from Vibrio alginolyticus.
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Fifty years of progress in ion channel research.
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Semimicroscopic modeling of permeation energetics in ion channels.
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The interfacial lipid binding site on the potassium channel KcsA is specific for anionic phospholipids.
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15816172 R.J.French, and G.W.Zamponi (2005).
Voltage-gated sodium and calcium channels in nerve, muscle, and heart.
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16002581 S.B.Long, E.B.Campbell, and R.Mackinnon (2005).
Crystal structure of a mammalian voltage-dependent Shaker family K+ channel.
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PDB codes: 2a79 2a7v
15837197 S.Bernèche, and B.Roux (2005).
A gate in the selectivity filter of potassium channels.
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PDB code: 1s33
  15618483 S.C.Hebert, G.Desir, G.Giebisch, and W.Wang (2005).
Molecular diversity and regulation of renal potassium channels.
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Investigating the putative glycine hinge in Shaker potassium channel.
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15816169 S.J.Korn, and J.G.Trapani (2005).
Potassium channels.
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Side chain orientation of residues lining the selectivity filter of epithelial Na+ channels.
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  16043773 T.I.Brelidze, and K.L.Magleby (2005).
Probing the geometry of the inner vestibule of BK channels with sugars.
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15928996 V.Chevelkov, K.Faelber, A.Diehl, U.Heinemann, H.Oschkinat, and B.Reif (2005).
Detection of dynamic water molecules in a microcrystalline sample of the SH3 domain of alpha-spectrin by MAS solid-state NMR.
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PDB code: 1u06
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Elucidating the structural basis of membrane transport protein function: light at the end of the channel?
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11959503 B.Byrne, and S.Iwata (2002).
Membrane protein complexes.
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12133841 B.Gilquin, J.Racapé, A.Wrisch, V.Visan, A.Lecoq, S.Grissmer, A.Ménez, and S.Gasparini (2002).
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11959495 B.Roux (2002).
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Crystallisation of membrane proteins mediated by antibody fragments.
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Physical model for the gating mechanism of ionic channels.
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Na+ block and permeation in a K+ channel of known structure.
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Extracellular sodium interacts with the HERG channel at an outer pore site.
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Heterologous expression and purification systems for structural proteomics of Mammalian membrane proteins.
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Reactions of cysteines substituted in the amphipathic N-terminal tail of a bacterial potassium channel with hydrophilic and hydrophobic maleimides.
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12151225 J.W.Karpen, and M.Ruiz (2002).
Ion channels: does each subunit do something on its own?
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12414693 M.A.Eriksson, and B.Roux (2002).
Modeling the structure of agitoxin in complex with the Shaker K+ channel: a computational approach based on experimental distance restraints extracted from thermodynamic mutant cycles.
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11994293 M.Grunewald, D.Menaker, and B.I.Kanner (2002).
Cysteine-scanning mutagenesis reveals a conformationally sensitive reentrant pore-loop in the glutamate transporter GLT-1.
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Structural basis of inward rectification: cytoplasmic pore of the G protein-gated inward rectifier GIRK1 at 1.8 A resolution.
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PDB code: 1n9p
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Ion channels: open at last.
  Curr Biol, 12, R566-R568.  
11818082 M.S.Sansom, and I.H.Shrivastava (2002).
Ion channels: frozen motion.
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Ion channels: an open and shut case.
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Substrate specificity of nickel/cobalt permeases: insights from mutants altered in transmembrane domains I and II.
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Glycine residues in potassium channel-like selectivity filters determine potassium selectivity in four-loop-per-subunit HKT transporters from plants.
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PDB codes: 1lss 1lsu
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Coupling between voltage sensors and activation gate in voltage-gated K+ channels.
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News in brief.
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The most recent references are shown first. Citation data come partly from CiteXplore and partly from an automated harvesting procedure. Note that this is likely to be only a partial list as not all journals are covered by either method. However, we are continually building up the citation data so more and more references will be included with time. Where a reference describes a PDB structure, the PDB code is shown on the right.

 

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