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PDBsum entry 1kb5

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protein Protein-protein interface(s) links
Complex (immunoglobulin/receptor) PDB id
1kb5

 

 

 

 

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Contents
Protein chains
115 a.a. *
117 a.a. *
214 a.a. *
219 a.a. *
Waters ×266
* Residue conservation analysis
PDB id:
1kb5
Name: Complex (immunoglobulin/receptor)
Title: Murine t-cell receptor variable domain/fab complex
Structure: Kb5-c20 t-cell antigen receptor. Chain: a. Fragment: fv fragment, variable domain. Synonym: tcr vaplha vbeta domain. Engineered: yes. Other_details: 24 residue link between valpha c-terminus and vbeta n- terminus. Kb5-c20 t-cell antigen receptor. Chain: b.
Source: Mus musculus. House mouse. Organism_taxid: 10090. Cell: t-cell. Cellular_location: surface. Expressed in: mus musculus. Expression_system_taxid: 10090. Strain: igg2a. Strain: igg2a
Biol. unit: Tetramer (from PQS)
Resolution:
2.50Å     R-factor:   0.221    
Authors: D.Housset,G.Mazza,C.Gregoire,C.Piras,B.Malissen,J.C.Fontecilla-Camps
Key ref:
D.Housset et al. (1997). The three-dimensional structure of a T-cell antigen receptor V alpha V beta heterodimer reveals a novel arrangement of the V beta domain. EMBO J, 16, 4205-4216. PubMed id: 9250664 DOI: 10.1093/emboj/16.14.4205
Date:
06-Apr-97     Release date:   08-Apr-98    
PROCHECK
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 Headers
 References

Protein chain
No UniProt id for this chain
Struc: 115 a.a.
Protein chain
Pfam   ArchSchema ?
P04214  (TVB6_MOUSE) -  T-cell receptor beta chain V region E1 from Mus musculus
Seq:
Struc:
136 a.a.
117 a.a.*
Protein chain
Pfam   ArchSchema ?
P01837  (IGKC_MOUSE) -  Immunoglobulin kappa constant from Mus musculus
Seq:
Struc:
107 a.a.
214 a.a.
Protein chain
Pfam   ArchSchema ?
P01865  (GCAM_MOUSE) -  Immunoglobulin heavy constant gamma 2A from Mus musculus
Seq:
Struc:
398 a.a.
219 a.a.
Key:    PfamA domain  Secondary structure  CATH domain
* PDB and UniProt seqs differ at 13 residue positions (black crosses)

 

 
DOI no: 10.1093/emboj/16.14.4205 EMBO J 16:4205-4216 (1997)
PubMed id: 9250664  
 
 
The three-dimensional structure of a T-cell antigen receptor V alpha V beta heterodimer reveals a novel arrangement of the V beta domain.
D.Housset, G.Mazza, C.Grégoire, C.Piras, B.Malissen, J.C.Fontecilla-Camps.
 
  ABSTRACT  
 
The crystal structure of a mouse T-cell antigen receptor (TCR) Fv fragment complexed to the Fab fragment of a specific anti-clonotypic antibody has been determined to 2.6 A resolution. The polypeptide backbone of the TCR V alpha domain is very similar to those of other crystallographically determined V alphas, whereas the V beta structure is so far unique among TCR V beta domains in that it displays a switch of the c" strand from the inner to the outer beta-sheet. The beta chain variable region of this TCR antigen-binding site is characterized by a rather elongated third complementarity-determining region (CDR3beta) that packs tightly against the CDR3 loop of the alpha chain, without leaving any intervening hydrophobic pocket. Thus, the conformation of the CDR loops with the highest potential diversity distinguishes the structure of this TCR antigen-binding site from those for which crystallographic data are available. On the basis of all these results, we infer that a significant conformational change of the CDR3beta loop found in our TCR is required for binding to its cognate peptide-MHC ligand.
 
  Selected figure(s)  
 
Figure 3.
Figure 3 Stereoscopic view of the KB5-C20 V -V interface. The V and V domains are on the left and right sides, respectively. Only side chains of residues involved in interdomain interactions are shown. Residues are colour-coded according to their chemical nature. Acidic residues are red, basic residues dark blue, polar residues light blue, hydrophobic residues yellow and aromatic residues purple.
Figure 7.
Figure 7 Stereo pairs of the electron density map of the model contoured at the level, and generated from SIGMAA-weighted 2mF[o]-DF[c] coefficients (Read, 1986). (A) The switched c" strand and the d strand of the V domain are shown to illustrate their extended interactions. (B) The CDR3 loop is very well defined in the electron density map.
 
  The above figures are reprinted from an Open Access publication published by Macmillan Publishers Ltd: EMBO J (1997, 16, 4205-4216) copyright 1997.  
  Figures were selected by an automated process.  

Literature references that cite this PDB file's key reference

  PubMed id Reference
21262824 B.Xu, J.C.Pizarro, M.A.Holmes, C.McBeth, V.Groh, T.Spies, and R.K.Strong (2011).
Crystal structure of a gammadelta T-cell receptor specific for the human MHC class I homolog MICA.
  Proc Natl Acad Sci U S A, 108, 2414-2419.
PDB code: 3omz
19416894 K.Rubtsova, J.P.Scott-Browne, F.Crawford, S.Dai, P.Marrack, and J.W.Kappler (2009).
Many different Vbeta CDR3s can reveal the inherent MHC reactivity of germline-encoded TCR V regions.
  Proc Natl Acad Sci U S A, 106, 7951-7956.  
18247345 D.Bandyopadhyay, and E.L.Mehler (2008).
Quantitative expression of protein heterogeneity: Response of amino acid side chains to their local environment.
  Proteins, 72, 646-659.  
18726714 E.J.Collins, and D.S.Riddle (2008).
TCR-MHC docking orientation: natural selection, or thymic selection?
  Immunol Res, 41, 267-294.  
18378495 J.K.Archbold, W.A.Macdonald, S.R.Burrows, J.Rossjohn, and J.McCluskey (2008).
T-cell allorecognition: a case of mistaken identity or déjà vu?
  Trends Immunol, 29, 220-226.  
18303949 Z.Ma, K.A.Sharp, P.A.Janmey, and T.H.Finkel (2008).
Surface-anchored monomeric agonist pMHCs alone trigger TCR with high sensitivity.
  PLoS Biol, 6, e43.  
16788072 B.Moza, R.A.Buonpane, P.Zhu, C.A.Herfst, A.K.Rahman, J.K.McCormick, D.M.Kranz, and E.J.Sundberg (2006).
Long-range cooperative binding effects in a T cell receptor variable domain.
  Proc Natl Acad Sci U S A, 103, 9867-9872.  
16551255 M.G.Rudolph, R.L.Stanfield, and I.A.Wilson (2006).
How TCRs bind MHCs, peptides, and coreceptors.
  Annu Rev Immunol, 24, 419-466.  
17105495 Y.Xin-Sheng, X.Zheng-Jun, M.Li, S.Wan-Bang, Z.Wei-Yang, W.Qian, H.Zhi-Ming, M.Min-Jie, L.Ying, W.Zhen-Qiang, H.Xiao-Wei, W.Ju-Fang, and W.Xiao-Ning (2006).
Analysis of the CDR3 region of alpha/beta T-cell receptors (TCRs) and TCR BD gene double-stranded recombination signal sequence breaks end in peripheral blood mononuclear cells of T-lineage acute lymphoblastic leukemia.
  Clin Lab Haematol, 28, 405-415.  
16260763 H.Li, S.Van Vranken, Y.Zhao, Z.Li, Y.Guo, L.Eisele, and Y.Li (2005).
Crystal structures of T cell receptor (beta) chains related to rheumatoid arthritis.
  Protein Sci, 14, 3025-3038.
PDB codes: 2axh 2axj
12909456 D.Housset, and B.Malissen (2003).
What do TCR-pMHC crystal structures teach us about MHC restriction and alloreactivity?
  Trends Immunol, 24, 429-437.  
12773544 R.H.McMahan, L.Watson, R.Meza-Romero, G.G.Burrows, D.N.Bourdette, and A.C.Buenafe (2003).
Production, characterization, and immunogenicity of a soluble rat single chain T cell receptor specific for an encephalitogenic peptide.
  J Biol Chem, 278, 30961-30970.  
14579365 Z.Wang, and J.Moult (2003).
Three-dimensional structural location and molecular functional effects of missense SNPs in the T cell receptor Vbeta domain.
  Proteins, 53, 748-757.  
12472659 E.May, N.Dulphy, E.Frauendorf, R.Duchmann, P.Bowness, J.A.Lopez de Castro, A.Toubert, and E.Märker-Hermann (2002).
Conserved TCR beta chain usage in reactive arthritis; evidence for selection by a putative HLA-B27-associated autoantigen.
  Tissue Antigens, 60, 299-308.  
11948787 P.Chakrabarti, and J.Janin (2002).
Dissecting protein-protein recognition sites.
  Proteins, 47, 334-343.  
12198166 T.Steiner, J.T.Kaiser, S.Marinkoviç, R.Huber, and M.C.Wahl (2002).
Crystal structures of transcription factor NusG in light of its nucleic acid- and protein-binding activities.
  EMBO J, 21, 4641-4653.
PDB codes: 1m1g 1m1h
10737939 D.W.Ritchie, and G.J.Kemp (2000).
Protein docking using spherical polar Fourier correlations.
  Proteins, 39, 178-194.  
10655470 J.Foote, and A.Raman (2000).
A relation between the principal axes of inertia and ligand binding.
  Proc Natl Acad Sci U S A, 97, 978-983.  
10089418 A.Achour, R.A.Harris, K.Persson, J.Sundbäck, C.L.Sentman, G.Schneider, Y.Lindqvist, and K.Kärre (1999).
Murine class I major histocompatibility complex H-2Dd: expression, refolding and crystallization.
  Acta Crystallogr D Biol Crystallogr, 55, 260-262.  
10583947 E.L.Reinherz, K.Tan, L.Tang, P.Kern, J.Liu, Y.Xiong, R.E.Hussey, A.Smolyar, B.Hare, R.Zhang, A.Joachimiak, H.C.Chang, G.Wagner, and J.Wang (1999).
The crystal structure of a T cell receptor in complex with peptide and MHC class II.
  Science, 286, 1913-1921.
PDB code: 1d9k
9874576 E.P.Grant, M.Degano, J.P.Rosat, S.Stenger, R.L.Modlin, I.A.Wilson, S.A.Porcelli, and M.B.Brenner (1999).
Molecular recognition of lipid antigens by T cell receptors.
  J Exp Med, 189, 195-205.  
10358765 H.Li, A.Llera, E.L.Malchiodi, and R.A.Mariuzza (1999).
The structural basis of T cell activation by superantigens.
  Annu Rev Immunol, 17, 435-466.  
10358763 K.C.Garcia, L.Teyton, and I.A.Wilson (1999).
Structural basis of T cell recognition.
  Annu Rev Immunol, 17, 369-397.  
10631938 K.C.Garcia (1999).
Molecular interactions between extracellular components of the T-cell receptor signaling complex.
  Immunol Rev, 172, 73-85.  
10229190 P.S.Andersen, P.M.Lavoie, R.P.Sékaly, H.Churchill, D.M.Kranz, P.M.Schlievert, K.Karjalainen, and R.A.Mariuzza (1999).
Role of the T cell receptor alpha chain in stabilizing TCR-superantigen-MHC class II complexes.
  Immunity, 10, 473-483.  
9523115 B.Arden (1998).
Conserved motifs in T-cell receptor CDR1 and CDR2: implications for ligand and CD8 co-receptor binding.
  Curr Opin Immunol, 10, 74-81.  
9639993 B.C.Sim, D.Lo, and N.R.Gascoigne (1998).
Preferential expression of TCR V alpha regions in CD4/CD8 subsets: class discrimination or co-receptor recognition?
  Immunol Today, 19, 276-282.  
9497293 C.A.Mallick-Wood, J.M.Lewis, L.I.Richie, M.J.Owen, R.E.Tigelaar, and A.C.Hayday (1998).
Conservation of T cell receptor conformation in epidermal gammadelta cells with disrupted primary Vgamma gene usage.
  Science, 279, 1729-1733.  
9700511 G.Mazza, D.Housset, C.Piras, C.Gregoire, S.Y.Lin, J.C.Fontecilla-Camps, and B.Malissen (1998).
Glimpses at the recognition of peptide/MHC complexes by T-cell antigen receptors.
  Immunol Rev, 163, 187-196.  
9881971 H.Li, A.Llera, D.Tsuchiya, L.Leder, X.Ysern, P.M.Schlievert, K.Karjalainen, and R.A.Mariuzza (1998).
Three-dimensional structure of the complex between a T cell receptor beta chain and the superantigen staphylococcal enterotoxin B.
  Immunity, 9, 807-816.
PDB code: 1sbb
9700510 H.Li, A.Llera, and R.A.Mariuzza (1998).
Structure-function studies of T-cell receptor-superantigen interactions.
  Immunol Rev, 163, 177-186.  
9427737 J.Wang, K.Lim, A.Smolyar, M.Teng, J.Liu, A.G.Tse, J.Liu, R.E.Hussey, Y.Chishti, C.T.Thomson, R.M.Sweet, S.G.Nathenson, H.C.Chang, J.C.Sacchettini, and E.L.Reinherz (1998).
Atomic structure of an alphabeta T cell receptor (TCR) heterodimer in complex with an anti-TCR fab fragment derived from a mitogenic antibody.
  EMBO J, 17, 10-26.
PDB code: 1nfd
9720260 K.C.Garcia, and L.Teyton (1998).
T-cell receptor peptide-MHC interactions: biological lessons from structural studies.
  Curr Opin Biotechnol, 9, 338-343.  
9469799 K.C.Garcia, M.Degano, L.R.Pease, M.Huang, P.A.Peterson, L.Teyton, and I.A.Wilson (1998).
Structural basis of plasticity in T cell receptor recognition of a self peptide-MHC antigen.
  Science, 279, 1166-1172.
PDB code: 2ckb
9824474 M.Feng, D.Chou, Y.Liaw, and M.Lai (1998).
Conserved T-cell receptor class II major histocompatibility complex contact detected in a T-lymphocyte population.
  Immunology, 95, 185-192.  
9597140 M.M.Davis, J.J.Boniface, Z.Reich, D.Lyons, J.Hampl, B.Arden, and Y.Chien (1998).
Ligand recognition by alpha beta T cell receptors.
  Annu Rev Immunol, 16, 523-544.  
9643627 P.J.Fairchild (1998).
Presentation of antigenic peptides by products of the major histocompatibility complex.
  J Pept Sci, 4, 182-194.  
9523116 R.Zamoyska (1998).
CD4 and CD8: modulators of T-cell receptor recognition of antigen and of immune responses?
  Curr Opin Immunol, 10, 82-87.  
9586632 T.C.Manning, C.J.Schlueter, T.C.Brodnicki, E.A.Parke, J.A.Speir, K.C.Garcia, L.Teyton, I.A.Wilson, and D.M.Kranz (1998).
Alanine scanning mutagenesis of an alphabeta T cell receptor: mapping the energy of antigen recognition.
  Immunity, 8, 413-425.  
9628472 X.Ysern, H.Li, and R.A.Mariuzza (1998).
Imperfect interfaces.
  Nat Struct Biol, 5, 412-414.  
9700515 Z.Weng, and C.DeLisi (1998).
Toward a predictive understanding of molecular recognition.
  Immunol Rev, 163, 251-266.  
9434905 I.A.Wilson, and K.C.Garcia (1997).
T-cell receptor structure and TCR complexes.
  Curr Opin Struct Biol, 7, 839-848.  
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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