› 4qkz

X-ray diffraction
1.2Å resolution

X-ray structure of the catalytic domain of MMP-8 with the inhibitor ML115

Released:
DOI: 10.2210/pdb4qkz/pdb
PDB entry 4qkz coloured by chain, front view.
PDB entry 4qkz coloured by chain, side view.
PDB entry 4qkz coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy.
Laghezza A, Piemontese L, Brunetti L, Caradonna A, Agamennone M, Di Pizio A, Pochetti G, Montanari R, Capelli D, Tauro M, Loiodice F, Tortorella P
OpenAccess logo Pharmaceuticals (Basel) 13 (2020)
PMID: 32492898

Function and Biology Details

Reaction catalysed: 
Cleavage of interstitial collagens in the triple helical domain. Unlike EC 3.4.24.7, this enzyme cleaves type III collagen more slowly than type I.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-540341 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neutrophil collagenase Chain: A
Molecule details ›
Chain: A
Length: 163 amino acids
Theoretical weight: 18.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P22894 (Residues: 100-262; Coverage: 37%)
Gene names: CLG1, MMP8
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand CA 2 x CA
Ligand ZN 2 x ZN
Ligand QZK 1 x QZK
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P212121
Unit cell:
a: 32.91Å b: 68.69Å c: 70.69Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.194
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

(2-Aminobenzothiazole)-Methyl-1,1-Bisphosphonic Acids: Targeting Matrix Metalloproteinase 13 Inhibition to the Bone.
Laghezza et al. (2021)

1 mention without citation

Bone-Seeking Matrix Metalloproteinase Inhibitors for the Treatment of Skeletal Malignancy.
Laghezza et al. (2020)