› 2ow0

X-ray diffraction
2Å resolution

MMP-9 active site mutant with iodine-labeled carboxylate inhibitor

Released:
DOI: 10.2210/pdb2ow0/pdb
PDB entry 2ow0 coloured by chain, front view.
PDB entry 2ow0 coloured by chain, side view.
PDB entry 2ow0 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of MMP-9 complexes with five inhibitors: contribution of the flexible Arg424 side-chain to selectivity.
Tochowicz A, Maskos K, Huber R, Oltenfreiter R, Dive V, Yiotakis A, Zanda M, Pourmotabbed T, Bode W, Goettig P
J Mol Biol 371 989-1006 (2007)
PMID: 17599356

Function and Biology Details

Reaction catalysed: 
Cleavage of gelatin types I and V and collagen types IV and V.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo tetramer
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-147085 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
67 kDa matrix metalloproteinase-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 159 amino acids
Theoretical weight: 17.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14780 (Residues: 110-443; Coverage: 23%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 8 x CA
Ligand CL 6 x CL
Ligand 6MR 2 x 6MR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MPG/DESY, HAMBURG BEAMLINE BW6
Spacegroup: P41212
Unit cell:
a: 55.19Å b: 55.19Å c: 260.361Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.227 0.227 0.271
Expression system: Escherichia coli

Quick links

Citations

11 review citations

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

7 mentions without citation

Rational approaches to improving selectivity in drug design.
Huggins et al. (2012)
6 more