› 3wd1

X-ray diffraction
2.3Å resolution

Serratia marcescens Chitinase B complexed with syn-triazole inhibitor

Released:
DOI: 10.2210/pdb3wd1/pdb
PDB entry 3wd1 coloured by chain, front view.
PDB entry 3wd1 coloured by chain, side view.
PDB entry 3wd1 coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor.
Hirose T, Maita N, Gouda H, Koseki J, Yamamoto T, Sugawara A, Nakano H, Hirono S, Shiomi K, Watanabe T, Taniguchi H, Sharpless KB, Omura S, Sunazuka T
Proc Natl Acad Sci U S A 110 15892-7 (2013)
PMID: 24043811

Function and Biology Details

Reaction catalysed: 
Random endo-hydrolysis of N-acetyl-beta-D-glucosaminide (1->4)-beta-linkages in chitin and chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-145920 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chitinase B Chain: A
Molecule details ›
Chain: A
Length: 503 amino acids
Theoretical weight: 55.93 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11797 (Residues: 2-499; Coverage: 100%)
Gene name: chiB
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand GOL 10 x GOL
Ligand SO4 2 x SO4
Ligand PO3 1 x PO3
Ligand ST7 1 x ST7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NE3A
Spacegroup: P43212
Unit cell:
a: 97.768Å b: 97.768Å c: 197.757Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.226
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Protein-Templated Fragment Ligations-From Molecular Recognition to Drug Discovery.
Jaegle et al. (2017)
1 more

2 mentions without citation

Observation of the controlled assembly of preclick components in the in situ click chemistry generation of a chitinase inhibitor.
Hirose et al. (2013)
1 more