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PDBsum entry 3psr
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protein metals Protein-protein interface(s) links
Ef-hand protein PDB id
3psr

 

 

 

 

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Contents
Protein chains
96 a.a. *
Metals
_ZN
_CA ×2
Waters ×70
* Residue conservation analysis
PDB id:
3psr
Name: Ef-hand protein
Title: Human psoriasin (s100a7) ca2+ bound form (crystal form i)
Structure: Psoriasin. Chain: a, b. Synonym: s100a7. Engineered: yes. Other_details: chain a is ca2+ and zn2+ bound form, chain b is ca2+ bound form
Source: Homo sapiens. Human. Organism_taxid: 9606. Cell: keratinocytes. Cellular_location: cytoplasmic, or may be secreted by a non- classical secretory pathway. Expressed in: escherichia coli bl21. Expression_system_taxid: 511693.
Biol. unit: Dimer (from PQS)
Resolution:
2.50Å     R-factor:   0.223     R-free:   0.295
Authors: D.E.Brodersen,J.Nyborg,M.Kjeldgaard
Key ref: D.E.Brodersen et al. (1999). Zinc-binding site of an S100 protein revealed. Two crystal structures of Ca2+-bound human psoriasin (S100A7) in the Zn2+-loaded and Zn2+-free states. Biochemistry, 38, 1695-1704. PubMed id: 10026247 DOI: 10.1021/bi982483d
Date:
17-Sep-98     Release date:   15-Jun-99    
PROCHECK
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 Headers
 References

Protein chains
Pfam   ArchSchema ?
P31151  (S10A7_HUMAN) -  Protein S100-A7 from Homo sapiens
Seq:
Struc: 		101 a.a.
96 a.a.*
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 1 residue position (black cross)

 

 
DOI no: 10.1021/bi982483d Biochemistry 38:1695-1704 (1999)
PubMed id: 10026247  
 
 
Zinc-binding site of an S100 protein revealed. Two crystal structures of Ca2+-bound human psoriasin (S100A7) in the Zn2+-loaded and Zn2+-free states.
D.E.Brodersen, J.Nyborg, M.Kjeldgaard.
 
  ABSTRACT  
 
The crystal structure of human psoriasin (S100A7) in the native, calcium-bound form has been determined from two crystal forms of the protein crystallized with and without divalent zinc. The overall structures of the dimeric protein closely resemble the previously determined holmium-substituted structure. The structures also reveal a zinc-binding site of the protein, which is formed by three histidines and an aspartate residue. Together, these residues coordinate the zinc ion in a way similar to the pattern seen in certain metalloproteases and in particular the collagenase family of proteins. Sequence comparison suggests that this zinc site is present in a number of the remaining members of the S100 family. The structure of S100A7 crystallized in the absence of zinc further shows that loss of zinc results in a reorganization of the adjacent empty and distorted EF-hand loop, causing it to resemble a calcium-loaded EF-hand.
 

Literature references that cite this PDB file's key reference Google scholar

  PubMed id Reference
21046186 E.Babini, I.Bertini, V.Borsi, V.Calderone, X.Hu, C.Luchinat, and G.Parigi (2011).
Structural characterization of human S100A16, a low-affinity calcium binder.
  J Biol Inorg Chem, 16, 243-256.
PDB codes: 2l50 2l51 3nxa
21377473 M.Unno, T.Kawasaki, H.Takahara, C.W.Heizmann, and K.Kizawa (2011).
Refined crystal structures of human Ca(2+)/Zn(2+)-binding S100A3 protein characterized by two disulfide bridges.
  J Mol Biol, 408, 477-490.
PDB codes: 3nsi 3nsk 3nsl 3nso
20950652 T.Ostendorp, J.Diez, C.W.Heizmann, and G.Fritz (2011).
The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.
  Biochim Biophys Acta, 1813, 1083-1091.
PDB codes: 3czt 3d0y 3d10
  20827422 D.B.Zimmer, and D.J.Weber (2010).
The Calcium-Dependent Interaction of S100B with Its Protein Targets.
  Cardiovasc Psychiatry Neurol, 2010, 0.  
20977662 G.Fritz, H.M.Botelho, L.A.Morozova-Roche, and C.M.Gomes (2010).
Natural and amyloid self-assembly of S100 proteins: structural basis of functional diversity.
  FEBS J, 277, 4578-4590.  
20015678 T.E.Kehl-Fie, and E.P.Skaar (2010).
Nutritional immunity beyond iron: a role for manganese and zinc.
  Curr Opin Chem Biol, 14, 218-224.  
19386136 O.V.Moroz, W.Burkitt, H.Wittkowski, W.He, A.Ianoul, V.Novitskaya, J.Xie, O.Polyakova, I.K.Lednev, A.Shekhtman, P.J.Derrick, P.Bjoerk, D.Foell, and I.B.Bronstein (2009).
Both Ca2+ and Zn2+ are essential for S100A12 protein -oligomerization and function.
  BMC Biochem, 10, 11.  
  18606705 R.Wolf, O.M.Howard, H.F.Dong, C.Voscopoulos, K.Boeshans, J.Winston, R.Divi, M.Gunsior, P.Goldsmith, B.Ahvazi, T.Chavakis, J.J.Oppenheim, and S.H.Yuspa (2008).
Chemotactic activity of S100A7 (Psoriasin) is mediated by the receptor for advanced glycation end products and potentiates inflammation with highly homologous but functionally distinct S100A15.
  J Immunol, 181, 1499-1506.  
18602402 T.H.Charpentier, P.T.Wilder, M.A.Liriano, K.M.Varney, E.Pozharski, A.D.MacKerell, A.Coop, E.A.Toth, and D.J.Weber (2008).
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
  J Mol Biol, 382, 56-73.
PDB codes: 3cr2 3cr4 3cr5
17159909 K.C.Lee, and R.L.Eckert (2007).
S100A7 (Psoriasin)--mechanism of antibacterial action in wounds.
  J Invest Dermatol, 127, 945-957.  
17030513 E.Sturchler, J.A.Cox, I.Durussel, M.Weibel, and C.W.Heizmann (2006).
S100A16, a novel calcium-binding protein of the EF-hand superfamily.
  J Biol Chem, 281, 38905-38917.  
  16682778 K.M.Boeshans, R.Wolf, C.Voscopoulos, W.Gillette, D.Esposito, T.C.Mueser, S.H.Yuspa, and B.Ahvazi (2006).
Purification, crystallization and preliminary X-ray diffraction of human S100A15.
  Acta Crystallogr Sect F Struct Biol Cryst Commun, 62, 467-470.  
16145699 F.Arnesano, L.Banci, I.Bertini, A.Fantoni, L.Tenori, and M.S.Viezzoli (2005).
Structural interplay between calcium(II) and copper(II) binding to S100A13 protein.
  Angew Chem Int Ed Engl, 44, 6341-6344.
PDB codes: 1yur 1yus 1yut 1yuu
15568027 R.Gläser, J.Harder, H.Lange, J.Bartels, E.Christophers, and J.M.Schröder (2005).
Antimicrobial psoriasin (S100A7) protects human skin from Escherichia coli infection.
  Nat Immunol, 6, 57-64.  
12645003 D.B.Zimmer, P.Wright Sadosky, and D.J.Weber (2003).
Molecular mechanisms of S100-target protein interactions.
  Microsc Res Tech, 60, 552-559.  
12640137 J.A.Hobbs, R.May, K.Tanousis, E.McNeill, M.Mathies, C.Gebhardt, R.Henderson, M.J.Robinson, and N.Hogg (2003).
Myeloid cell function in MRP-14 (S100A9) null mice.
  Mol Cell Biol, 23, 2564-2576.  
12645004 J.C.Deloulme, B.J.Gentil, and J.Baudier (2003).
Monitoring of S100 homodimerization and heterodimeric interactions by the yeast two-hybrid system.
  Microsc Res Tech, 60, 560-568.  
12777802 O.V.Moroz, A.A.Antson, S.J.Grist, N.J.Maitland, G.G.Dodson, K.S.Wilson, E.Lukanidin, and I.B.Bronstein (2003).
Structure of the human S100A12-copper complex: implications for host-parasite defence.
  Acta Crystallogr D Biol Crystallogr, 59, 859-867.
PDB code: 1odb
12645006 O.V.Moroz, G.G.Dodson, K.S.Wilson, E.Lukanidin, and I.B.Bronstein (2003).
Multiple structural states of S100A12: A key to its functional diversity.
  Microsc Res Tech, 60, 581-592.  
14621986 P.T.Wilder, D.M.Baldisseri, R.Udan, K.M.Vallely, and D.J.Weber (2003).
Location of the Zn(2+)-binding site on S100B as determined by NMR spectroscopy and site-directed mutagenesis.
  Biochemistry, 42, 13410-13421.  
12045193 G.Fritz, P.R.Mittl, M.Vasak, M.G.Grutter, and C.W.Heizmann (2002).
The crystal structure of metal-free human EF-hand protein S100A3 at 1.7-A resolution.
  J Biol Chem, 277, 33092-33098.  
11723110 M.J.Robinson, P.Tessier, R.Poulsom, and N.Hogg (2002).
The S100 family heterodimer, MRP-8/14, binds with high affinity to heparin and heparan sulfate glycosaminoglycans on endothelial cells.
  J Biol Chem, 277, 3658-3665.  
11856825 O.V.Moroz, A.A.Antson, E.J.Dodson, H.J.Burrell, S.J.Grist, R.M.Lloyd, N.J.Maitland, G.G.Dodson, K.S.Wilson, E.Lukanidin, and I.B.Bronstein (2002).
The structure of S100A12 in a hexameric form and its proposed role in receptor signalling.
  Acta Crystallogr D Biol Crystallogr, 58, 407-413.
PDB code: 1gqm
12354775 R.Rousset, K.A.Wharton, G.Zimmermann, and M.P.Scott (2002).
Zinc-dependent interaction between dishevelled and the Drosophila Wnt antagonist naked cuticle.
  J Biol Chem, 277, 49019-49026.  
  12137245 S.Yui, Y.Nakatani, M.J.Hunter, W.J.Chazin, and M.Yamazaki (2002).
Implication of extracellular zinc exclusion by recombinant human calprotectin (MRP8 and MRP14) from target cells in its apoptosis-inducing activity.
  Mediators Inflamm, 11, 165-172.  
11134923 O.V.Moroz, A.A.Antson, G.N.Murshudov, N.J.Maitland, G.G.Dodson, K.S.Wilson, I.Skibshøj, E.M.Lukanidin, and I.B.Bronstein (2001).
The three-dimensional structure of human S100A12.
  Acta Crystallogr D Biol Crystallogr, 57, 20-29.
PDB code: 1e8a
11168370 P.A.Hessian, and L.Fisher (2001).
The heterodimeric complex of MRP-8 (S100A8) and MRP-14 (S100A9). Antibody recognition, epitope definition and the implications for structure.
  Eur J Biochem, 268, 353-363.  
10739916 D.E.Brodersen, E.de La Fortelle, C.Vonrhein, G.Bricogne, J.Nyborg, and M.Kjeldgaard (2000).
Applications of single-wavelength anomalous dispersion at high and atomic resolution.
  Acta Crystallogr D Biol Crystallogr, 56, 431-441.  
  10933493 N.D.Kurniawan, A.R.Atkins, S.Bieri, C.J.Brown, I.M.Brereton, P.A.Kroon, and R.Smith (2000).
NMR structure of a concatemer of the first and second ligand-binding modules of the human low-density lipoprotein receptor.
  Protein Sci, 9, 1282-1293.
PDB code: 1f5y
10666601 O.V.Moroz, A.A.Antson, G.G.Dodson, K.S.Wilson, I.Skibshoj, E.M.Lukanidin, and I.B.Bronstein (2000).
Crystallization and preliminary X-ray diffraction analysis of human calcium-binding protein S100A12.
  Acta Crystallogr D Biol Crystallogr, 56, 189-191.  
10788426 T.B.Stradal, H.Troxler, C.W.Heizmann, and M.Gimona (2000).
Mapping the zinc ligands of S100A2 by site-directed mutagenesis.
  J Biol Chem, 275, 13219-13227.  
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 codes are shown on the right.

 

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