PDBe 4qrp

X-ray diffraction
2.9Å resolution

Crystal Structure of HLA B*0801 in complex with HSKKKCDEL and DD31 TCR

Released:

Function and Biology Details

Structure analysis Details

Assemblies composition:
hetero pentamer (preferred)
hetero dimer
hetero 12-mer
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class I histocompatibility antigen, B-8 alpha chain Chains: A, F
Molecule details ›
Chains: A, F
Length: 276 amino acids
Theoretical weight: 31.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P30460 (Residues: 25-300; Coverage: 82%)
Gene names: HLA-B, HLAB
Sequence domains:
Structure domains:
Beta-2-microglobulin Chains: B, G
Molecule details ›
Chains: B, G
Length: 100 amino acids
Theoretical weight: 11.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P61769 (Residues: 21-119; Coverage: 100%)
Gene names: B2M, CDABP0092, HDCMA22P
Sequence domains: Immunoglobulin C1-set domain
Structure domains: Immunoglobulins
NS3-4A protein Chains: C, H
Molecule details ›
Chains: C, H
Length: 9 amino acids
Theoretical weight: 1.09 KDa
Source organism: Hepacivirus C
Expression system: Not provided
UniProt:
  • Canonical: X2G898 (Residues: 369-377; Coverage: 1%)
DD31 TCR alpha chain Chains: D, J, K
Molecule details ›
Chains: D, J, K
Length: 206 amino acids
Theoretical weight: 22.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins
DD31 TCR beta chain Chains: E, I, L
Molecule details ›
Chains: E, I, L
Length: 245 amino acids
Theoretical weight: 27.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 74.16Å b: 252.19Å c: 79.45Å
α: 90° β: 101.97° γ: 90°
R-values:
R R work R free
0.209 0.206 0.248
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided