› 1yjb

X-ray diffraction
1.8Å resolution

SUBTILISIN BPN' 8397+1 (E.C. 3.4.21.14) (MUTANT WITH MET 50 REPLACED BY PHE, ASN 76 REPLACED BY ASP, GLY 169 REPLACED BY ALA, GLN 206 REPLACED BY CYS, ASN 218 REPLACED BY SER AND LYS 256 REPLACED BY TYR) (M50F, N76D, G169A, Q206C, N218S, AND K256Y) IN 35% DIMETHYLFORMAMIDE

Released:
DOI: 10.2210/pdb1yjb/pdb
PDB entry 1yjb coloured by chain, front view.
PDB entry 1yjb coloured by chain, side view.
PDB entry 1yjb coloured by chain, top view.
Source organism: Bacillus amyloliquefaciens
Primary publication:
Breaking the low barrier hydrogen bond in a serine protease.
Kidd RD, Sears P, Huang DH, Witte K, Wong CH, Farber GK
Protein Sci 8 410-7 (1999)
PMID: 10048334

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-133530 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Subtilisin BPN' Chain: A
Molecule details ›
Chain: A
Length: 275 amino acids
Theoretical weight: 27.58 KDa
Source organism: Bacillus amyloliquefaciens
Expression system: Bacillus subtilis
UniProt:
  • Canonical: P00782 (Residues: 108-382; Coverage: 78%)
Gene name: apr
Sequence domains: Subtilase family
Structure domains: Peptidase S8/S53 domain

Ligands and Environments

1 bound ligand:
Ligand CA 2 x CA
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
Spacegroup: P21
Unit cell:
a: 41.67Å b: 79.62Å c: 37.23Å
α: 90° β: 114.27° γ: 90°
R-values:
R R work R free
0.177 0.177 not available
Expression system: Bacillus subtilis

Quick links

Citations

2 review citations

Enzymes for chemical synthesis.
Koeller et al. (2001)
1 more

1 mention without citation

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