› 1d5j

X-ray diffraction
2.6Å resolution

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A THIAZEPINE BASED INHIBITOR.

Released:
DOI: 10.2210/pdb1d5j/pdb
PDB entry 1d5j coloured by chain, front view.
PDB entry 1d5j coloured by chain, side view.
PDB entry 1d5j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors.
Almstead NG, Bradley RS, Pikul S, De B, Natchus MG, Taiwo YO, Gu F, Williams LE, Hynd BA, Janusz MJ, Dunaway CM, Mieling GE
J Med Chem 42 4547-62 (1999)
PMID: 10579818

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 BL21(DE3)
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 MM3 2 x MM3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P212121
Unit cell:
a: 37.78Å b: 78.54Å c: 105.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.237 0.237 0.257
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

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

5 mentions without citation

Crystal structure of the conserved protein TT1542 from Thermus thermophilus HB8.
Handa et al. (2003)
4 more