› 1eub

Solution NMR

SOLUTION STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN COLLAGENASE-3 (MMP-13) COMPLEXED TO A POTENT NON-PEPTIDIC SULFONAMIDE INHIBITOR

Released:
DOI: 10.2210/pdb1eub/pdb
PDB entry 1eub coloured by chain, ensemble of 20 models, front view.
PDB entry 1eub coloured by chain, ensemble of 20 models, side view.
PDB entry 1eub coloured by chain, ensemble of 20 models, top view.
Source organism: Homo sapiens
Primary publication:
Solution structure of the catalytic domain of human collagenase-3 (MMP-13) complexed to a potent non-peptidic sulfonamide inhibitor: binding comparison with stromelysin-1 and collagenase-1.
Zhang X, Gonnella NC, Koehn J, Pathak N, Ganu V, Melton R, Parker D, Hu SI, Nam KY
J Mol Biol 301 513-24 (2000)
PMID: 10926524

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155286 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Collagenase 3 Chain: A
Molecule details ›
Chain: A
Length: 171 amino acids
Theoretical weight: 19.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P45452 (Residues: 104-274; Coverage: 38%)
Gene name: MMP13
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

5 bound ligands:
Ligand ZN 2 x ZN
Ligand CA 2 x CA
Ligand HAV 1 x HAV
Ligand 3MP 1 x 3MP
Ligand MSB 1 x MSB
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: SIMULATED ANNEALING AND ENERGY MINIMIZATION
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

3 mentions without citation

Conformational variability of matrix metalloproteinases: beyond a single 3D structure.
Bertini et al. (2005)
2 more