› 1w1t

X-ray diffraction
1.9Å resolution

Crystal structure of S. marcescens chitinase B in complex with the cyclic dipeptide inhibitor cyclo-(His-L-Pro) at 1.9 A resolution

Released:
DOI: 10.2210/pdb1w1t/pdb
PDB entry 1w1t coloured by chain, front view.
PDB entry 1w1t coloured by chain, side view.
PDB entry 1w1t coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
Structure-based exploration of cyclic dipeptide chitinase inhibitors.
Houston DR, Synstad B, Eijsink VG, Stark MJ, Eggleston IM, van Aalten DM
J Med Chem 47 5713-20 (2004)
PMID: 15509170

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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-176195 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GH18 domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 499 amino acids
Theoretical weight: 55.52 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q54276 (Residues: 1-499; Coverage: 100%)
Gene name: chiB
Sequence domains: Glycosyl hydrolases family 18
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand GOL 19 x GOL
Ligand SO4 6 x SO4
Ligand CHQ 4 x CHQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 55.845Å b: 103.975Å c: 186.016Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.193 0.193 0.222
Expression system: Escherichia coli BL21

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Citations

6 review citations

Isocyanide-based multicomponent reactions towards cyclic constrained peptidomimetics.
Koopmanschap et al. (2014)
5 more

2 mentions without citation

Protein Targets of Frankincense: A Reverse Docking Analysis of Terpenoids from Boswellia Oleo-Gum Resins.
Byler et al. (2018)
1 more