› 1g4k

X-ray diffraction
2Å resolution

X-ray Structure of a Novel Matrix Metalloproteinase Inhibitor Complexed to Stromelysin

Released:
DOI: 10.2210/pdb1g4k/pdb
PDB entry 1g4k coloured by chain, front view.
PDB entry 1g4k coloured by chain, side view.
PDB entry 1g4k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structure of a novel matrix metalloproteinase inhibitor complexed to stromelysin.
Dunten P, Kammlott U, Crowther R, Levin W, Foley LH, Wang P, Palermo R
Protein Sci 10 923-6 (2001)
PMID: 11316871

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, C
Molecule details ›
Chains: A, B, C
Length: 168 amino acids
Theoretical weight: 18.89 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08254 (Residues: 100-267; Coverage: 37%)
Gene names: MMP3, STMY1
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 6 x ZN
Ligand CA 9 x CA
Ligand HQQ 3 x HQQ
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: P43212
Unit cell:
a: 103.8Å b: 103.8Å c: 147.49Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.244 0.244 0.284
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

9 mentions without citation

Structural conservation of druggable hot spots in protein-protein interfaces.
Kozakov et al. (2011)
8 more