› 2k2g

Solution NMR

Solution structure of the wild-type catalytic domain of human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor

Released:
DOI: 10.2210/pdb2k2g/pdb
PDB entry 2k2g coloured by chain, ensemble of 17 models, front view.
PDB entry 2k2g coloured by chain, ensemble of 17 models, side view.
PDB entry 2k2g coloured by chain, ensemble of 17 models, top view.
Source organism: Homo sapiens
Primary publication:
Solution structure of wild-type human matrix metalloproteinase 12 (MMP-12) in complex with a tight-binding inhibitor.
Markus MA, Dwyer B, Wolfrom S, Li J, Li W, Malakian K, Wilhelm J, Tsao DH
J Biomol NMR 41 55-60 (2008)
PMID: 18425585

Function and Biology Details

Reaction catalysed: 
Hydrolysis of soluble and insoluble elastin (1). Specific cleavages are also produced at -Ala(14)-|-Leu- and -Tyr(16)-|-Leu- in the B chain of insulin (2).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153971 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Macrophage metalloelastase Chain: A
Molecule details ›
Chain: A
Length: 165 amino acids
Theoretical weight: 18.37 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P39900 (Residues: 100-263; Coverage: 36%)
Gene names: HME, MMP12
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand DSV 1 x DSV
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: DGSA-distance geometry simulated annealing, simulated annealing
Expression system: Escherichia coli BL21(DE3)

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Citations

2 citation in other articles

A QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogs based on molecular orbital calculations.
Hitaoka et al. (2015)
1 more

1 mention without citation

An In Silico Target Fishing Approach to Identify Novel Ochratoxin A Hydrolyzing Enzyme.
Dellafiora et al. (2020)