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Crystal Structure of a citrulline peptide variant of the minor histocompatibility peptide HA-1 in complex with HLA-A2

X-ray diffraction
1.8Å resolution
PDB entry 3ft2 coloured by chain, front view.
PDB entry 3ft2 coloured by chain, side view.
PDB entry 3ft2 coloured by chain, top view.
Source organism: Homo sapiens
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: 19150.84 Å2
Buried surface area: 4656.86 Å2
Dissociation area: 1,294.72 Å2
Dissociation energy (ΔGdiss): 6.31 kcal/mol
Dissociation entropy (TΔSdiss): 12.08 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-137744

Macromolecules

HLA class I histocompatibility antigen, A alpha chain
Chain: A
Length: 275 amino acids
Theoretical weight: 31.88 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 3ft2, assembly 1, front view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 3ft2, assembly 1, side view.
HLA class I histocompatibility antigen, A alpha chain in PDB entry 3ft2, assembly 1, top view.
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Beta-2-microglobulin
Chain: B
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 3ft2, assembly 1, front view.
Beta-2-microglobulin in PDB entry 3ft2, assembly 1, side view.
Beta-2-microglobulin in PDB entry 3ft2, assembly 1, top view.
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citrulline variant HA-1 peptide
Chain: P
Length: 9 amino acids
Theoretical weight: 1.04 KDa
citrulline variant HA-1 peptide in PDB entry 3ft2, assembly 1, front view.
citrulline variant HA-1 peptide in PDB entry 3ft2, assembly 1, side view.
citrulline variant HA-1 peptide in PDB entry 3ft2, assembly 1, top view.
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