› 1gkd

X-ray diffraction
2.1Å resolution

MMP9 active site mutant-inhibitor complex

Released:
DOI: 10.2210/pdb1gkd/pdb
PDB entry 1gkd coloured by chain, front view.
PDB entry 1gkd coloured by chain, side view.
PDB entry 1gkd coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human MMP9 in complex with a reverse hydroxamate inhibitor.
Rowsell S, Hawtin P, Minshull CA, Jepson H, Brockbank SM, Barratt DG, Slater AM, McPheat WL, Waterson D, Henney AM, Pauptit RA
J Mol Biol 319 173-81 (2002)
PMID: 12051944

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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147089 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
67 kDa matrix metalloproteinase-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 163 amino acids
Theoretical weight: 18.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14780 (Residues: 107-443; Coverage: 24%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand CA 8 x CA
Ligand STN 2 x STN
Ligand BUM 2 x BUM
Ligand ZN 4 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P41212
Unit cell:
a: 56.523Å b: 56.523Å c: 263.761Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.212 0.256
Expression system: Escherichia coli

Quick links

Citations

17 review citations

Gelatinase-mediated migration and invasion of cancer cells.
Björklund et al. (2005)
16 more

13 mentions without citation

Towards third generation matrix metalloproteinase inhibitors for cancer therapy.
Overall et al. (2006)
12 more