› 1w9v

X-ray diffraction
2Å resolution

Specificity and affinity of natural product cyclopentapeptide argifin against Aspergillus fumigatus

Released:
DOI: 10.2210/pdb1w9v/pdb
PDB entry 1w9v coloured by chain, front view.
PDB entry 1w9v coloured by chain, side view.
PDB entry 1w9v coloured by chain, top view.
Source organisms:
Primary publication:
Specificity and affinity of natural product cyclopentapeptide inhibitors against A. fumigatus, human, and bacterial chitinases.
Rao FV, Houston DR, Boot RG, Aerts JM, Hodkinson M, Adams DJ, Shiomi K, Omura S, van Aalten DM
Chem Biol 12 65-76 (2005)
PMID: 15664516

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:
  • not assigned
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-123227 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Endochitinase B1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 433 amino acids
Theoretical weight: 47.66 KDa
Source organism: Aspergillus fumigatus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: E9QRF2 (Residues: 1-433; Coverage: 100%)
Gene names: AFUA_8G01410, chiB1
Sequence domains: Glycosyl hydrolases family 18
Structure domains:
ARGIFIN Chains: C, D
Molecule details ›
Chains: C, D
Length: 5 amino acids
Theoretical weight: 694 Da
Source organism: Gliocladium
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand SO4 6 x SO4
4 modified residues:
Ligand VR0 2 x VR0
Ligand MEA 2 x MEA
Ligand IAS 4 x IAS
Ligand DAL 2 x DAL

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P41
Unit cell:
a: 117.704Å b: 117.704Å c: 99.783Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.248
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

13 review citations

Insect chitinase and chitinase-like proteins.
Arakane et al. (2010)
12 more

7 mentions without citation

Structure-based dissection of the natural product cyclopentapeptide chitinase inhibitor argifin.
Andersen et al. (2008)
6 more