4l3c

X-ray diffraction
2.64Å resolution

Structure of HLA-A2 in complex with D76N b2m mutant and NY-ESO1 double mutant

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-137768 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
HLA class I histocompatibility antigen, A alpha chain Chains: A, C, E, G, I, K, M, O, Q, S, U, W, Y, a
Molecule details ›
Chains: A, C, E, G, I, K, M, O, Q, S, U, W, Y, a
Length: 276 amino acids
Theoretical weight: 31.95 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04439 (Residues: 25-299; Coverage: 81%)
Gene names: HLA-A, HLAA
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, D, F, H, J, L, N, P, R, T, V, X, Z, b
Molecule details ›
Chains: B, D, F, H, J, L, N, P, R, T, V, X, Z, b
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
NY-ESO1 double mutant (1Y, 9V) Chains: c, e, f, g, h, i, j, k, l, m, n, o, p, q
Molecule details ›
Chains: c, e, f, g, h, i, j, k, l, m, n, o, p, q
Length: 9 amino acids
Theoretical weight: 1.17 KDa

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 102.11Å b: 314.5Å c: 316.23Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.199 0.218
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli BL21