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PDBsum entry 3cfc
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protein ligands Protein-protein interface(s) links
Immune system PDB id
3cfc

 

 

 

 

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Contents
Protein chains
213 a.a. *
219 a.a. *
Ligands
GOL
Waters ×332
* Residue conservation analysis
PDB id:
3cfc
Name: Immune system
Title: High-resolution structure of blue fluorescent antibody ep2-19g2
Structure: Blue fluorescent antibody ep2-19g2-igg2b heavy chain. Chain: h. Fragment: fab. Blue fluorescent antibody ep2-19g2-kappa light chain. Chain: l. Fragment: fab
Source: Mus musculus. House mouse. Organism_taxid: 10090. Cell: hybridoma cells from 129gix+ spleen cells fused with balb/c myeloma cells. Other_details: purified from ascitic fluid. Other_details: purified from ascitic fluid
Resolution:
1.70Å     R-factor:   0.193     R-free:   0.231
Authors: E.W.Debler,I.A.Wilson
Key ref:
E.W.Debler et al. (2008). Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex. Science, 319, 1232-1235. PubMed id: 18309081 DOI: 10.1126/science.1153445
Date:
03-Mar-08     Release date:   18-Mar-08    
PROCHECK
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 Headers
 References

Protein chain
No UniProt id for this chain
Struc: 213 a.a.
Protein chain
No UniProt id for this chain
Struc: 219 a.a.
Key:    Secondary structure  CATH domain

 

 
DOI no: 10.1126/science.1153445 Science 319:1232-1235 (2008)
PubMed id: 18309081  
 
 
Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex.
E.W.Debler, G.F.Kaufmann, M.M.Meijler, A.Heine, J.M.Mee, G.Pljevaljcic, A.J.Di Bilio, P.G.Schultz, D.P.Millar, K.D.Janda, I.A.Wilson, H.B.Gray, R.A.Lerner.
 
  ABSTRACT  
 
The blue-emissive antibody EP2-19G2 that has been elicited against trans-stilbene has unprecedented ability to produce bright luminescence and has been used as a biosensor in various applications. We show that the prolonged luminescence is not stilbene fluorescence. Instead, the emissive species is a charge-transfer excited complex of an anionic stilbene and a cationic, parallel pi-stacked tryptophan. Upon charge recombination, this complex generates exceptionally bright blue light. Complex formation is enabled by a deeply penetrating ligand-binding pocket, which in turn results from a noncanonical interface between the two variable domains of the antibody.
 
  Selected figure(s)  
 
Figure 2.
Fig. 2. Electrostatic and shape complementarity of the hapten 1 in (A) the EP2-25C10 and (B) the EP2-19G2 antibody-combining site. Slices through the center of the binding sites are shown. The heavy and light chains are colored in blue and green, respectively. The electrostatic potential was calculated in APBS (30) and mapped onto the surface with the color code ranging from –30 kT/e (bright red) to +30 kT/e (dark blue). Both binding pockets are highly apolar, but strongly differ in their depth and penetration of the variable antibody domain. (C) Crystal structure of purple-fluorescent antibody EP2-25C10 in complex with 1 (yellow). The 2F[o] – F[c] electron density map around hapten 1 is contoured at 1.5 . (D) Crystal structure of the blue-emissive antibody EP2-19G2 in complex with 1 (yellow) (4). Trp^H103 undergoes parallel -stacking with 1 and forms a charge-transfer complex in the excited state. In contrast, stilbene 1 in EP2-25C10 does not engage in any -stacking interactions with tryptophan. 		Figure 5.
Scheme 1.
 
  The above figures are reprinted by permission from the AAAs: Science (2008, 319, 1232-1235) copyright 2008.  
  Figures were selected by an automated process.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
  21469225 A.M.Blanco-Rodríguez, A.J.Di Bilio, C.Shih, A.K.Museth, I.P.Clark, M.Towrie, A.Cannizzo, J.Sudhamsu, B.R.Crane, J.Sýkora, J.R.Winkler, H.B.Gray, S.Záliš, and A.Vlček (2011).
Phototriggering electron flow through Re(I)-modified Pseudomonas aeruginosa azurins.
  Chemistry, 17, 5350-5361.  
21180706 K.J.Zanotti, G.L.Silva, Y.Creeger, K.L.Robertson, A.S.Waggoner, P.B.Berget, and B.A.Armitage (2011).
Blue fluorescent dye-protein complexes based on fluorogenic cyanine dyes and single chain antibody fragments.
  Org Biomol Chem, 9, 1012-1020.  
20567748 A.Baldridge, K.M.Solntsev, C.Song, T.Tanioka, J.Kowalik, K.Hardcastle, and L.M.Tolbert (2010).
Inhibition of twisting of a green fluorescent protein-like chromophore by metal complexation.
  Chem Commun (Camb), 46, 5686-5688.  
19606431 C.N.Falco, K.M.Dykstra, B.P.Yates, and P.B.Berget (2009).
scFv-based fluorogen activating proteins and variable domain inhibitors as fluorescent biosensor platforms.
  Biotechnol J, 4, 1328-1336.  
19737016 N.I.Shank, K.J.Zanotti, F.Lanni, P.B.Berget, and B.A.Armitage (2009).
Enhanced photostability of genetically encodable fluoromodules based on fluorogenic cyanine dyes and a promiscuous protein partner.
  J Am Chem Soc, 131, 12960-12969.  
19597589 Y.Hong, J.W.Lam, and B.Z.Tang (2009).
Aggregation-induced emission: phenomenon, mechanism and applications.
  Chem Commun (Camb), (), 4332-4353.  
18761447 H.Ozhalici-Unal, C.L.Pow, S.A.Marks, L.D.Jesper, G.L.Silva, N.I.Shank, E.W.Jones, J.M.Burnette, P.B.Berget, and B.A.Armitage (2008).
A rainbow of fluoromodules: a promiscuous scFv protein binds to and activates a diverse set of fluorogenic cyanine dyes.
  J Am Chem Soc, 130, 12620-12621.  
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.

 

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