› 2jnp

Solution NMR

Solution structure of matrix metalloproteinase 3 (MMP-3) in the presence of N-isobutyl-N-[4-methoxyphenylsulfonyl]glycyl hydroxamic acid (NNGH)

Released:
DOI: 10.2210/pdb2jnp/pdb
PDB entry 2jnp coloured by chain, ensemble of 25 models, front view.
PDB entry 2jnp coloured by chain, ensemble of 25 models, side view.
PDB entry 2jnp coloured by chain, ensemble of 25 models, top view.
Source organism: Homo sapiens
Primary publication:
Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors.
Alcaraz LA, Banci L, Bertini I, Cantini F, Donaire A, Gonnelli L
J Biol Inorg Chem 12 1197-206 (2007)
PMID: 17710450

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 Chain: A
Molecule details ›
Chain: A
Length: 161 amino acids
Theoretical weight: 18.04 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P08254 (Residues: 105-265; Coverage: 35%)
Gene names: MMP3, STMY1
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
Chemical shift assignment: 64%
Refinement method: molecular dynamics
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Rational approaches to improving selectivity in drug design.
Huggins et al. (2012)
12 other articles

3 mentions without citation

Potassium channel modulation by a toxin domain in matrix metalloprotease 23.
Rangaraju et al. (2010)
2 more