PDBe 2f53

X-ray diffraction
2.1Å resolution

Directed Evolution of Human T-cell Receptor CDR2 residues by phage display dramatically enhances affinity for cognate peptide-MHC without apparent cross-reactivity

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
Entry contents:
5 distinct polypeptide molecules
Macromolecules (5 distinct):
HLA class I histocompatibility antigen, A-2 alpha chain Chain: A
Molecule details ›
Chain: A
Length: 275 amino acids
Theoretical weight: 31.85 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P01892 (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: 11.85 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
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
T cell receptor alpha constant Chain: D
Molecule details ›
Chain: D
Length: 193 amino acids
Theoretical weight: 21.21 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P01848 (Residues: 1-11, 12-77; Coverage: 55%)
Gene names: TCRA, TRAC
Structure domains: Immunoglobulins
T-cell receptor, beta chain Chain: E
Molecule details ›
Chain: E
Length: 243 amino acids
Theoretical weight: 27.27 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
Structure domains: Immunoglobulins

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: P21
Unit cell:
a: 76.234Å b: 53.972Å c: 119.905Å
α: 90° β: 96.83° γ: 90°
R-values:
R R work R free
0.169 0.166 0.231
Expression systems:
  • Escherichia coli BL21
  • Not provided