› 1d7x

X-ray diffraction
2Å resolution

CRYSTAL STRUCTURE OF MMP3 COMPLEXED WITH A MODIFIED PROLINE SCAFFOLD BASED INHIBITOR.

Released:
DOI: 10.2210/pdb1d7x/pdb
PDB entry 1d7x coloured by chain, front view.
PDB entry 1d7x coloured by chain, side view.
PDB entry 1d7x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, synthesis, and biological evaluation of matrix metalloproteinase inhibitors derived from a modified proline scaffold.
Cheng M, De B, Almstead NG, Pikul S, Dowty ME, Dietsch CR, Dunaway CM, Gu F, Hsieh LC, Janusz MJ, Taiwo YO, Natchus MG, Hudlicky T, Mandel M
J Med Chem 42 5426-36 (1999)
PMID: 10639284

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140080 (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 SPC 2 x SPC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 37.85Å b: 78.22Å c: 104.74Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.262 0.262 0.227
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Future challenges facing the development of specific active-site-directed synthetic inhibitors of MMPs.
Cuniasse et al. (2005)
2 more

5 mentions without citation

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