› 1i76

X-ray diffraction
1.2Å resolution

COMPLEX OF 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID (D-TIC DERIVATIVE) WITH T CATALITIC DOMAIN OF MATRIX METALLO PROTEINASE-8 (MET80 FORM)

Released:
DOI: 10.2210/pdb1i76/pdb
PDB entry 1i76 coloured by chain, front view.
PDB entry 1i76 coloured by chain, side view.
PDB entry 1i76 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
Gavuzzo E, Pochetti G, Mazza F, Gallina C, Gorini B, D'Alessio S, Pieper M, Tschesche H, Tucker PA
J Med Chem 43 3377-85 (2000)
PMID: 10978185

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: 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

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

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P212121
Unit cell:
a: 32.99Å b: 68.684Å c: 70.584Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.132 0.129 0.171
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Structural aspects of the metzincin clan of metalloendopeptidases.
Gomis-Rüth FX. (2003)
2 more

10 mentions without citation

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