› 4ayk

Solution NMR

CATALYTIC FRAGMENT OF HUMAN FIBROBLAST COLLAGENASE COMPLEXED WITH CGS-27023A, NMR, 30 STRUCTURES

Released:
DOI: 10.2210/pdb4ayk/pdb
PDB entry 4ayk coloured by chain, ensemble of 30 models, front view.
PDB entry 4ayk coloured by chain, ensemble of 30 models, side view.
PDB entry 4ayk coloured by chain, ensemble of 30 models, top view.
Source organism: Homo sapiens
Primary publication:
NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
Moy FJ, Chanda PK, Chen JM, Cosmi S, Edris W, Skotnicki JS, Wilhelm J, Powers R
Biochemistry 38 7085-96 (1999)
PMID: 10353819

Function and Biology Details

Reaction catalysed: 
Cleavage of the triple helix of collagen at about three-quarters of the length of the molecule from the N-terminus, at 775-Gly-|-Ile-776 in the alpha-1(I) chain. Cleaves synthetic substrates and alpha-macroglobulins at bonds where P1' is a hydrophobic residue.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137297 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
22 kDa interstitial collagenase Chain: A
Molecule details ›
Chain: A
Length: 169 amino acids
Theoretical weight: 18.87 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P03956 (Residues: 101-269; Coverage: 38%)
Gene names: CLG, MMP1
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand CA 1 x CA
Ligand CGS 1 x CGS
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: HYBRID DISTANCE GEOMETRY-DYNAMICAL SIMULATED ANNEALING METHOD
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

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

2 mentions without citation

TarFisDock: a web server for identifying drug targets with docking approach.
Li et al. (2006)
1 more