› 4l19

X-ray diffraction
1.66Å resolution

Matrix metalloproteinase-13 complexed with selective inhibitor compound Q1

Released:
DOI: 10.2210/pdb4l19/pdb
PDB entry 4l19 coloured by chain, front view.
PDB entry 4l19 coloured by chain, side view.
PDB entry 4l19 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
Spicer TP, Jiang J, Taylor AB, Choi JY, Hart PJ, Roush WR, Fields GB, Hodder PS, Minond D
J Med Chem 57 9598-611 (2014)
PMID: 25330343

Function and Biology Details

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

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: 171 amino acids
Theoretical weight: 19.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P45452 (Residues: 104-274; Coverage: 38%)
Gene name: MMP13
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

5 bound ligands:
Ligand ZN 5 x ZN
Ligand CA 4 x CA
Ligand FMT 5 x FMT
Ligand 1UA 3 x 1UA
Ligand GOL 3 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: C2
Unit cell:
a: 135.32Å b: 36.029Å c: 95.814Å
α: 90° β: 130.23° γ: 90°
R-values:
R R work R free
0.137 0.134 0.199
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

The Rebirth of Matrix Metalloproteinase Inhibitors: Moving Beyond the Dogma.
Fields GB. (2019)
4 more

4 mentions without citation

Characterization of selective exosite-binding inhibitors of matrix metalloproteinase 13 that prevent articular cartilage degradation in vitro.
Spicer et al. (2014)
3 more