› 1d8m

X-ray diffraction
2.44Å resolution

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A HETEROCYCLE-BASED INHIBITOR

Released:
DOI: 10.2210/pdb1d8m/pdb
PDB entry 1d8m coloured by chain, front view.
PDB entry 1d8m coloured by chain, side view.
PDB entry 1d8m coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Heterocycle-based MMP inhibitors with P2' substituents.
Pikul S, Dunham KM, Almstead NG, De B, Natchus MG, Taiwo YO, Williams LE, Hynd BA, Hsieh LC, Janusz MJ, Gu F, Mieling GE
Bioorg Med Chem Lett 11 1009-13 (2001)
PMID: 11327577

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 domain:

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 BBH 1 x BBH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 37.96Å b: 78.59Å c: 105.93Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.277 0.277 0.315
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

3 mentions without citation

A comparison of the binding sites of matrix metalloproteinases and tumor necrosis factor-alpha converting enzyme: implications for selectivity.
Lukacova et al. (2005)
2 more