› 1hqw

X-ray diffraction
2.4Å resolution

CRYSTAL STRUCTURE OF THE COMPLEX OF CONCANAVALIN A WITH A TRIPEPTIDE YPY

Released:
DOI: 10.2210/pdb1hqw/pdb
PDB entry 1hqw coloured by chain, front view.
PDB entry 1hqw coloured by chain, side view.
PDB entry 1hqw coloured by chain, top view.
Source organism: Canavalia ensiformis
Primary publication:
Crystal structure of the complex of concanavalin A and tripeptide.
Zhang Z, Qian M, Huang Q, Jia Y, Tang Y, Wang K, Cui D, Li M
J Protein Chem 20 59-65 (2001)
PMID: 11330349

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136272 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Concanavalin-A, 2nd part Chain: A
Molecule details ›
Chain: A
Length: 237 amino acids
Theoretical weight: 25.62 KDa
Source organism: Canavalia ensiformis
UniProt:
  • Canonical: P02866 (Residues: 28-148; Coverage: 46%)
Sequence domains: Legume lectin domain
Structure domains: Jelly Rolls
YPY Chain: B
Molecule details ›
Chain: B
Length: 3 amino acids
Theoretical weight: 441 Da
Source organism: Canavalia ensiformis
Expression system: Not provided

Ligands and Environments

3 bound ligands:
Ligand MN 1 x MN
Ligand CA 1 x CA
Ligand PTD 1 x PTD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: I222
Unit cell:
a: 62.63Å b: 86.57Å c: 89.29Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.201 0.175 0.237
Expression system: Not provided

Quick links

Citations

5 citation in other articles

Accurate basis set truncation for wavefunction embedding.
Barnes et al. (2013)
4 more

1 mention without citation

Bulk-solvent and overall scaling revisited: faster calculations, improved results.
Afonine et al. (2013)