› 3mrd

X-ray diffraction
1.7Å resolution

Crystal Structure of MHC class I HLA-A2 molecule complexed with HCMV pp65-495-503 nonapeptide V6G variant

Released:
DOI: 10.2210/pdb3mrd/pdb
PDB entry 3mrd coloured by chain, front view.
PDB entry 3mrd coloured by chain, side view.
PDB entry 3mrd coloured by chain, top view.
Source organisms:
Primary publication:
Analysis of relationships between peptide/MHC structural features and naive T cell frequency in humans.
Reiser JB, Legoux F, Gras S, Trudel E, Chouquet A, Léger A, Le Gorrec M, Machillot P, Bonneville M, Saulquin X, Housset D
J Immunol 193 5816-26 (2014)
PMID: 25392532

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
PDBe Complex ID:
PDB-CPX-137656 (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: 276 amino acids
Theoretical weight: 31.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P04439 (Residues: 25-299; Coverage: 81%)
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
65 kDa phosphoprotein Chain: P
Molecule details ›
Chain: P
Length: 9 amino acids
Theoretical weight: 901 Da
Source organism: Human betaherpesvirus 5
Expression system: Not provided
UniProt:
  • Canonical: P06725 (Residues: 495-503; Coverage: 2%)
Gene name: UL83

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P21
Unit cell:
a: 53.14Å b: 80.92Å c: 56.2Å
α: 90° β: 112.41° γ: 90°
R-values:
R R work R free
0.196 0.194 0.226
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

Structural Prediction of Peptide-MHC Binding Modes.
Perez et al. (2022)
1 more

2 mentions without citation

Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8+ T cell epitope.
Song et al. (2017)
1 more