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Structures of HLA-A*1101 in complex with immunodominant nonamer and decamer HIV-1 epitopes clearly reveal the presence of a middle anchor residue

X-ray diffraction
2.4Å resolution
PDB entry 1q94 coloured by chain, front view.
PDB entry 1q94 coloured by chain, side view.
PDB entry 1q94 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero trimer (preferred)
Entry contents: 3 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Multimeric state: hetero trimer
Accessible surface area: 18984.23 Å2
Buried surface area: 4603.01 Å2
Dissociation area: 1,402.88 Å2
Dissociation energy (ΔGdiss): 1.58 kcal/mol
Dissociation entropy (TΔSdiss): 12.12 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137660
Assembly 2
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Multimeric state: hetero trimer
Accessible surface area: 19253.9 Å2
Buried surface area: 4420.87 Å2
Dissociation area: 900.13 Å2
Dissociation energy (ΔGdiss): 6.85 kcal/mol
Dissociation entropy (TΔSdiss): 7.3 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137660

Macromolecules

HLA class I histocompatibility antigen, A alpha chain
Chains: A, D
Length: 275 amino acids
Theoretical weight: 31.86 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:
SCOP:
HLA class I histocompatibility antigen, A alpha chain in PDB entry 1q94, assembly 1, front view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 1q94, assembly 1, side view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 1q94, assembly 1, top view.
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Beta-2-microglobulin
Chains: B, E
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
SCOP: C1 set domains (antibody constant domain-like)
Beta-2-microglobulin in PDB entry 1q94, assembly 1, front view.
Beta-2-microglobulin in PDB entry 1q94, assembly 1, side view.
Beta-2-microglobulin in PDB entry 1q94, assembly 1, top view.
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p51 RT
Chains: C, F
Length: 9 amino acids
Theoretical weight: 1.01 KDa
Source organism: Human immunodeficiency virus type 1 (Z2/CDC-Z34 ISOLATE)
Expression system: Not provided
UniProt:
  • Canonical: P12499 (Residues: 746-754; Coverage: 1%)
Gene name: gag-pol
p51 RT in PDB entry 1q94, assembly 1, front view.
p51 RT in PDB entry 1q94, assembly 1, side view.
p51 RT in PDB entry 1q94, assembly 1, top view.
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