› 7c34

X-ray diffraction
1.94Å resolution

Crystal structure of Serratia marcescens Chitinase B complexed with Berberine

Released:
DOI: 10.2210/pdb7c34/pdb
PDB entry 7c34 coloured by chain, front view.
PDB entry 7c34 coloured by chain, side view.
PDB entry 7c34 coloured by chain, top view.
Source organism: Serratia marcescens
Primary publication:
Crystal structure-guided design of berberine-based novel chitinase inhibitors.
Chen L, Zhu L, Chen J, Chen W, Qian X, Yang Q
J Enzyme Inhib Med Chem 35 1937-1943 (2020)
PMID: 33167737

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-145922 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chitinase B Chains: A, B
Molecule details ›
Chains: A, B
Length: 496 amino acids
Theoretical weight: 55.23 KDa
Source organism: Serratia marcescens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11797 (Residues: 3-498; Coverage: 100%)
Gene name: chiB
Sequence domains: Glycosyl hydrolases family 18

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: NFPSS BEAMLINE BL18U
Spacegroup: P212121
Unit cell:
a: 56.091Å b: 103.771Å c: 186.507Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.162 0.195
Expression system: Escherichia coli

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Citations

4 citation in other articles

Berberine Suppresses Stemness and Tumorigenicity of Colorectal Cancer Stem-Like Cells by Inhibiting m6A Methylation.
Zhao et al. (2021)
3 more

1 mention without citation

Crystal structure-guided design of berberine-based novel chitinase inhibitors.
Chen et al. (2020)