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Structure of the HLA-E-VMAPRTLVL/GF4 TCR complex

X-ray diffraction
3.1Å resolution
PDB entry 5w1w coloured by chain, front view.
PDB entry 5w1w coloured by chain, side view.
PDB entry 5w1w 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: 37736.67 Å2
Buried surface area: 11096.76 Å2
Dissociation area: 1,202.47 Å2
Dissociation energy (ΔGdiss): -8.68 kcal/mol
Dissociation entropy (TΔSdiss): 13.89 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-285954
Assembly 2
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Multimeric state: hetero pentamer
Accessible surface area: 38070.71 Å2
Buried surface area: 11072.5 Å2
Dissociation area: 1,182.5 Å2
Dissociation energy (ΔGdiss): -9.1 kcal/mol
Dissociation entropy (TΔSdiss): 13.9 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-285954
Assembly 3
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Multimeric state: hetero pentamer
Accessible surface area: 38271.37 Å2
Buried surface area: 10682.1 Å2
Dissociation area: 1,047.78 Å2
Dissociation energy (ΔGdiss): -10.44 kcal/mol
Dissociation entropy (TΔSdiss): 13.86 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-285954
Assembly 4
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Multimeric state: hetero pentamer
Accessible surface area: 37665.33 Å2
Buried surface area: 11267.08 Å2
Dissociation area: 1,222.81 Å2
Dissociation energy (ΔGdiss): -6.82 kcal/mol
Dissociation entropy (TΔSdiss): 13.9 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-285954

Macromolecules

Soluble HLA class I histocompatibility antigen, alpha chain E
Chains: A, F, K, P
Length: 278 amino acids
Theoretical weight: 32.08 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P13747 (Residues: 22-299; Coverage: 83%)
Gene names: HLA-6.2, HLA-E, HLAE
Pfam:
InterPro:
CATH:
Soluble HLA class I histocompatibility antigen, alpha chain E in PDB entry 5w1w, assembly 1, front view.
Soluble HLA class I histocompatibility antigen, alpha chain E in PDB entry 5w1w, assembly 1, side view.
Soluble HLA class I histocompatibility antigen, alpha chain E in PDB entry 5w1w, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P13747  
127820406080100120140160180200220240260
 
100200
UniProt
P13747
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Molecule details ›

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Beta-2-microglobulin
Chains: B, G, L, Q
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
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 5w1w, assembly 1, front view.
Beta-2-microglobulin in PDB entry 5w1w, assembly 1, side view.
Beta-2-microglobulin in PDB entry 5w1w, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P61769  
1100102030405060708090100
 
50100MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
UniProt
P61769
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Sequence conservation
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HLA class I histocompatibility antigen, A alpha chain
Chains: C, H, M, R
Length: 9 amino acids
Theoretical weight: 1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
UniProt:
  • Canonical: P04439 (Residues: 3-11; Coverage: 0%)
Gene names: HLA-A, HLAA
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5w1w, assembly 1, front view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5w1w, assembly 1, side view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 5w1w, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P04439  
19123456789
 
246810VMAPRTLVL
UniProt
P04439
Chains
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GF4 T cell receptor alpha chain
Chains: D, I, N, S
Length: 207 amino acids
Theoretical weight: 22.69 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
InterPro:
CATH: Immunoglobulins
GF4 T cell receptor alpha chain in PDB entry 5w1w, assembly 1, front view.
GF4 T cell receptor alpha chain in PDB entry 5w1w, assembly 1, side view.
GF4 T cell receptor alpha chain in PDB entry 5w1w, assembly 1, top view.
120720406080100120140160180200
 
50100150200
Chains
RSRZ Outlier Chain D (auth D)
Chain D (auth D)
RSRZ Outlier Chain I (auth I)
Chain I (auth I)
RSRZ Outlier Chain N (auth N)
Chain N (auth N)
RSRZ Outlier Chain S (auth S)
Chain S (auth S)
Domains
Secondary structure
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GF4 T cell receptor beta chain
Chains: E, J, O, T
Length: 246 amino acids
Theoretical weight: 27.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli 'BL21-Gold(DE3)pLysS AG'
InterPro:
CATH: Immunoglobulins
GF4 T cell receptor beta chain in PDB entry 5w1w, assembly 1, front view.
GF4 T cell receptor beta chain in PDB entry 5w1w, assembly 1, side view.
GF4 T cell receptor beta chain in PDB entry 5w1w, assembly 1, top view.
124620406080100120140160180200220240
 
100200
Chains
RSRZ Outlier Chain E (auth E)
Chain E (auth E)
RSRZ Outlier Chain J (auth J)
Chain J (auth J)
RSRZ Outlier Chain O (auth O)
Chain O (auth O)
RSRZ Outlier Chain T (auth T)
Chain T (auth T)
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
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