› 1s9w

X-ray diffraction
2.2Å resolution

Crystal Structure Analysis of NY-ESO-1 epitope, SLLMWITQC, in complex with HLA-A2

Released:
DOI: 10.2210/pdb1s9w/pdb
PDB entry 1s9w coloured by chain, front view.
PDB entry 1s9w coloured by chain, side view.
PDB entry 1s9w coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Functional and structural characteristics of NY-ESO-1-related HLA A2-restricted epitopes and the design of a novel immunogenic analogue.
Webb AI, Dunstone MA, Chen W, Aguilar MI, Chen Q, Jackson H, Chang L, Kjer-Nielsen L, Beddoe T, McCluskey J, Rossjohn J, Purcell AW
J Biol Chem 279 23438-46 (2004)
PMID: 15004033

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-137704 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
HLA class I histocompatibility antigen, A alpha chain Chain: A
Molecule details ›
Chain: A
Length: 274 amino acids
Theoretical weight: 31.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04439 (Residues: 25-298; Coverage: 80%)
Gene names: HLA-A, HLAA
Sequence domains:
Structure domains:
Beta-2-microglobulin Chain: B
Molecule details ›
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
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
Cancer/testis antigen 1 Chain: C
Molecule details ›
Chain: C
Length: 9 amino acids
Theoretical weight: 1.09 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P78358 (Residues: 157-165; Coverage: 5%)
Gene names: CTAG, CTAG1, CTAG1A, CTAG1B, ESO1, LAGE2, LAGE2A, LAGE2B

Ligands and Environments

1 bound ligand:
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P213
Unit cell:
a: 117.75Å b: 117.75Å c: 117.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.228 0.228 0.267
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

8 review citations

Conformational changes and flexibility in T-cell receptor recognition of peptide-MHC complexes.
Armstrong et al. (2008)
7 more

8 mentions without citation

Side chain substitution benchmark for peptide/MHC interaction.
Knapp et al. (2008)
7 more