› 3vsb

X-ray diffraction
2.6Å resolution

SUBTILISIN CARLSBERG D-NAPHTHYL-1-ACETAMIDO BORONIC ACID INHIBITOR COMPLEX

Released:
DOI: 10.2210/pdb3vsb/pdb
PDB entry 3vsb coloured by chain, front view.
PDB entry 3vsb coloured by chain, side view.
PDB entry 3vsb coloured by chain, top view.
Source organism: Bacillus licheniformis
Primary publication:
Differences in binding modes of enantiomers of 1-acetamido boronic acid based protease inhibitors: crystal structures of gamma-chymotrypsin and subtilisin Carlsberg complexes.
Stoll VS, Eger BT, Hynes RC, Martichonok V, Jones JB, Pai EF
Biochemistry 37 451-62 (1998)
PMID: 9425066

Function and Biology Details

Reaction catalysed: 
Hydrolysis of proteins with broad specificity for peptide bonds, and a preference for a large uncharged residue in P1. Hydrolyzes peptide amides.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133525 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Subtilisin Carlsberg Chain: A
Molecule details ›
Chain: A
Length: 274 amino acids
Theoretical weight: 27.56 KDa
Source organism: Bacillus licheniformis
UniProt:
  • Canonical: P00780 (Residues: 106-379; Coverage: 78%)
Gene names: apr, subC
Sequence domains: Subtilase family
Structure domains: Peptidase S8/S53 domain

Ligands and Environments

1 bound ligand:
Ligand NA 2 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P212121
Unit cell:
a: 53Å b: 55.4Å c: 76.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.155 0.155 0.299

Quick links

Citations

5 review citations

The versatility of boron in biological target engagement.
Diaz et al. (2017)
4 more

2 mentions without citation

Multiple structural alignment by secondary structures: algorithm and applications.
Dror et al. (2003)
1 more