› 1jh1

X-ray diffraction
2.7Å resolution

Crystal Structure of MMP-8 complexed with a 6H-1,3,4-thiadiazine derived inhibitor

Released:
DOI: 10.2210/pdb1jh1/pdb
PDB entry 1jh1 coloured by chain, front view.
PDB entry 1jh1 coloured by chain, side view.
PDB entry 1jh1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold.
Schröder J, Henke A, Wenzel H, Brandstetter H, Stammler HG, Stammler A, Pfeiffer WD, Tschesche H
J Med Chem 44 3231-43 (2001)
PMID: 11563922

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 domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149831 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Neutrophil collagenase Chain: A
Molecule details ›
Chain: A
Length: 158 amino acids
Theoretical weight: 17.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P22894 (Residues: 105-262; Coverage: 35%)
Gene names: CLG1, MMP8
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand CA 2 x CA
Ligand ZN 2 x ZN
Ligand JST 1 x JST
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 32.99Å b: 69.38Å c: 72.09Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.211 0.264
Expression system: Escherichia coli BL21

Quick links

Citations

9 review citations

Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs.
Verma et al. (2007)
8 more

2 mentions without citation

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering.
Giangreco et al. (2010)
1 more