› 7z5u

X-ray diffraction
1.8Å resolution

Crystal structure of the peptidase domain of collagenase G from Clostridium histolyticum in complex with a hydroxamate-based inhibitor

Released:
DOI: 10.2210/pdb7z5u/pdb
PDB entry 7z5u coloured by chain, front view.
PDB entry 7z5u coloured by chain, side view.
PDB entry 7z5u coloured by chain, top view.
Source organism: Hathewaya histolytica
Primary publication:
Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
Alhayek A, Abdelsamie AS, Schönauer E, Camberlein V, Hutterer E, Posselt G, Serwanja J, Blöchl C, Huber CG, Haupenthal J, Brandstetter H, Wessler S, Hirsch AKH
OpenAccess logo J Med Chem 65 12933-12955 (2022)
PMID: 36154055

Function and Biology Details

Reaction catalysed: 
Digestion of native collagen in the triple helical region at -|-Gly bonds. With synthetic peptides, a preference is shown for Gly at P3 and P1', Pro and Ala at P2 and P2', and hydroxyproline, Ala or Arg at P3'.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-194955 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Collagenase ColG Chain: A
Molecule details ›
Chain: A
Length: 415 amino acids
Theoretical weight: 47.89 KDa
Source organism: Hathewaya histolytica
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9X721 (Residues: 398-790; Coverage: 37%)
Gene name: colG
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand ZN 1 x ZN
Ligand IFW 1 x IFW
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P212121
Unit cell:
a: 59.306Å b: 78.385Å c: 96.411Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.18 0.18 0.207
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Inhibitors of the Elastase LasB for the Treatment of Pseudomonas aeruginosa Lung Infections.
Konstantinović et al. (2023)

1 mention without citation

Discovery and Characterization of Synthesized and FDA-Approved Inhibitors of Clostridial and Bacillary Collagenases.
Alhayek et al. (2022)