› 2ow9

X-ray diffraction
1.74Å resolution

Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor

Released:
DOI: 10.2210/pdb2ow9/pdb
PDB entry 2ow9 coloured by chain, front view.
PDB entry 2ow9 coloured by chain, side view.
PDB entry 2ow9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
Johnson AR, Pavlovsky AG, Ortwine DF, Prior F, Man CF, Bornemeier DA, Banotai CA, Mueller WT, McConnell P, Yan C, Baragi V, Lesch C, Roark WH, Wilson M, Datta K, Guzman R, Han HK, Dyer RD
J Biol Chem 282 27781-91 (2007)
PMID: 17623656

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-155286 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Collagenase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 170 amino acids
Theoretical weight: 19.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P45452 (Residues: 104-270; Coverage: 37%)
Gene name: MMP13
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

5 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 7 x CA
Ligand SO4 1 x SO4
Ligand SP6 2 x SP6
Ligand HAE 2 x HAE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: C2
Unit cell:
a: 140.764Å b: 36.343Å c: 71.684Å
α: 90° β: 93.53° γ: 90°
R-values:
R R work R free
0.168 0.167 0.191
Expression system: Escherichia coli

Quick links

Citations

38 review citations

Role of proinflammatory cytokines in the pathophysiology of osteoarthritis.
Kapoor et al. (2011)
37 more

15 mentions without citation

Inhibitory Antibodies Designed for Matrix Metalloproteinase Modulation.
Fischer et al. (2019)
14 more