› › Structure analysis

1E6 TCR in complex with HLA-A02 carrying RQFGPDWIVA

X-ray diffraction
1.974Å resolution
PDB entry 5c0c coloured by chain, front view.
PDB entry 5c0c coloured by chain, side view.
PDB entry 5c0c coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero pentamer (preferred)
Entry contents: 5 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero pentamer
Accessible surface area: 38193.95 Å2
Buried surface area: 15534.69 Å2
Dissociation area: 1,330.48 Å2
Dissociation energy (ΔGdiss): -3.76 kcal/mol
Dissociation entropy (TΔSdiss): 13.99 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-100928
Assembly 2
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Multimeric state: hetero pentamer
Accessible surface area: 38060.87 Å2
Buried surface area: 14839.67 Å2
Dissociation area: 2,542.8 Å2
Dissociation energy (ΔGdiss): -7.36 kcal/mol
Dissociation entropy (TΔSdiss): 26.08 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-100928

Macromolecules

HLA class I histocompatibility antigen, A alpha chain
Chains: A, F
Length: 277 amino acids
Theoretical weight: 32.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04439 (Residues: 25-299; Coverage: 81%)
Gene names: HLA-A, HLAA
Pfam:
InterPro:
CATH:
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5c0c, assembly 1, front view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5c0c, assembly 1, side view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5c0c, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P04439  
127720406080100120140160180200220240260
 
100200MGSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEP
UniProt
P04439
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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Beta-2-microglobulin
Chains: B, G
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Pfam: Immunoglobulin C1-set domain
InterPro:
CATH: Immunoglobulins
Beta-2-microglobulin in PDB entry 5c0c, assembly 1, front view.
Beta-2-microglobulin in PDB entry 5c0c, assembly 1, side view.
Beta-2-microglobulin in PDB entry 5c0c, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P61769  
1100102030405060708090100
 
50100MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
UniProt
P61769
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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Marker peptide
Chains: C, H
Length: 10 amino acids
Theoretical weight: 1.19 KDa
Source organism: Homo sapiens
Expression system: Not provided
Marker peptide in PDB entry 5c0c, assembly 1, front view.
Marker peptide in PDB entry 5c0c, assembly 1, side view.
Marker peptide in PDB entry 5c0c, assembly 1, top view.
11012345678910
 
510RQFGPDWIVA
Chains
Chain C (auth C)
Chain H (auth H)
Flexibility predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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T cell receptor alpha chain constant; T cell receptor alpha variable 12-3
Chains: D, I
Length: 200 amino acids
Theoretical weight: 22.52 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0B4J271 (Residues: 24-113; Coverage: 97%)
  • Canonical: P01848 (Residues: 1-89; Coverage: 64%)
    • nullnull
Gene names: TCRA, TRAC, TRAV12-3
Pfam:
InterPro:
CATH: Immunoglobulins
T cell receptor alpha chain constant in PDB entry 5c0c, assembly 1, front view.
T cell receptor alpha chain constant in PDB entry 5c0c, assembly 1, side view.
T cell receptor alpha chain constant in PDB entry 5c0c, assembly 1, top view.
PDBe-KB: UniProt Coverage View: A0A0B4J271   P01848  
120020406080100120140160180200
 
50100150200KEVEQDPGPLSVPEGAIVSLNCTYSNSAFQYFMWYRQYSRKGPELLMYTYSSGNKEDGRFTAQVDKSSKYISLFIRDSQPSDSATYLCAMRGDSSYKLIFGSGTRLLVRPDIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPS
UniProt
A0A0B4J271
P01848
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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T cell receptor beta constant 2; T cell receptor beta variable 12-4
Chains: E, J
Length: 247 amino acids
Theoretical weight: 28.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0B4J2E0 (Residues: 20-115; Coverage: 100%)
  • Canonical: A0A5B9 (Residues: 1-129; Coverage: 73%)
    • nullnull
Gene names: TCRBC2, TRBC2, TRBV12-4
Pfam:
InterPro:
CATH: Immunoglobulins
T cell receptor beta constant 2 in PDB entry 5c0c, assembly 1, front view.
T cell receptor beta constant 2 in PDB entry 5c0c, assembly 1, side view.
T cell receptor beta constant 2 in PDB entry 5c0c, assembly 1, top view.
PDBe-KB: UniProt Coverage View: A0A0B4J2E0   A0A5B9  
124720406080100120140160180200220240
 
100200MDAGVIQSPRHEVTEMGQQVTLRCKPISGHDYLFWYRQTMMRGLELLIYFNNNVPIDDSGMPEDRFSAKMPNASFSTLKIQPSEPRDSAVYFCASSLWEKLAKNIQYFGAGTRLSVLEDLKNVFPPEVAVFEPSEAEISHTQKATLVCLATGFYPDHVELSWWVNGKEVHSGVCTDPQPLKEQPALNDSRYALSSRLRVSATFWQDPRNHFRCQVQFYGLSENDEWTQDRAKPVTQIVSAEAWGRAD
UniProt
A0A0B4J2E0
A0A5B9
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Ligand binding sites
Interaction interfaces
Sequence conservation
Molecule details ›

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