› 1hy7

X-ray diffraction
1.5Å resolution

A CARBOXYLIC ACID BASED INHIBITOR IN COMPLEX WITH MMP3

Released:
DOI: 10.2210/pdb1hy7/pdb
PDB entry 1hy7 coloured by chain, front view.
PDB entry 1hy7 coloured by chain, side view.
PDB entry 1hy7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of new carboxylic acid-based MMP inhibitors derived from functionalized propargylglycines.
Natchus MG, Bookland RG, Laufersweiler MJ, Pikul S, Almstead NG, De B, Janusz MJ, Hsieh LC, Gu F, Pokross ME, Patel VS, Garver SM, Peng SX, Branch TM, King SL, Baker TR, Foltz DJ, Mieling GE
J Med Chem 44 1060-71 (2001)
PMID: 11297453

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

Assemblies composition:
monomeric (preferred)
homo dimer
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 MBS 1 x MBS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 37.918Å b: 78.059Å c: 105.801Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.22
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

11 mentions without citation

Normal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.
Bahar et al. (2010)
10 more