› 4g9l

X-ray diffraction
1.88Å resolution

Structure of MMP3 complexed with NNGH inhibitor.

Released:
DOI: 10.2210/pdb4g9l/pdb
PDB entry 4g9l coloured by chain, front view.
PDB entry 4g9l coloured by chain, side view.
PDB entry 4g9l coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure of matrix metalloproteinase-3 with a platinum-based inhibitor.
Belviso BD, Caliandro R, Siliqi D, Calderone V, Arnesano F, Natile G
Chem Commun (Camb) 49 5492-4 (2013)
PMID: 23660647

Function and Biology Details

Reaction catalysed: 
Preferential cleavage where P1', P2' and P3' are hydrophobic residues.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140079 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Stromelysin-1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 173 amino acids
Theoretical weight: 19.42 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08254 (Residues: 100-272; Coverage: 38%)
Gene names: MMP3, STMY1
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 6 x CA
Ligand NGH 1 x NGH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID13
Spacegroup: P212121
Unit cell:
a: 37.99Å b: 78.84Å c: 106.73Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.207 0.27
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Metal complexes and metalloproteases: targeting conformational diseases.
Grasso et al. (2014)
1 other article

7 mentions without citation

HTS by NMR for the Identification of Potent and Selective Inhibitors of Metalloenzymes.
Baggio et al. (2018)
6 more