› 4wzv

X-ray diffraction
1.65Å resolution

Crystal structure of a hydroxamate based inhibitor EN140 in complex with the MMP-9 catalytic domain

Released:
DOI: 10.2210/pdb4wzv/pdb
PDB entry 4wzv coloured by chain, front view.
PDB entry 4wzv coloured by chain, side view.
PDB entry 4wzv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
N-O-Isopropyl Sulfonamido-Based Hydroxamates as Matrix Metalloproteinase Inhibitors: Hit Selection and in Vivo Antiangiogenic Activity.
Nuti E, Cantelmo AR, Gallo C, Bruno A, Bassani B, Camodeca C, Tuccinardi T, Vera L, Orlandini E, Nencetti S, Stura EA, Martinelli A, Dive V, Albini A, Rossello A
J Med Chem 58 7224-40 (2015)
PMID: 26263024

Function and Biology Details

Reaction catalysed: 
Cleavage of gelatin types I and V and collagen types IV and V.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147085 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
67 kDa matrix metalloproteinase-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 160 amino acids
Theoretical weight: 17.9 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14780 (Residues: 110-444; Coverage: 23%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

9 bound ligands:
Ligand E40 2 x E40
Ligand ZN 4 x ZN
Ligand CA 6 x CA
Ligand EDO 2 x EDO
Ligand PGO 2 x PGO
Ligand PEG 4 x PEG
Ligand AZI 1 x AZI
Ligand NA 7 x NA
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 39.95Å b: 97.39Å c: 45.67Å
α: 90° β: 112.72° γ: 90°
R-values:
R R work R free
0.179 0.176 0.23
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Recent opportunities in matrix metalloproteinase inhibitor drug design for cancer.
Zhong et al. (2018)
5 more

6 mentions without citation

Utilizing network pharmacology and molecular docking to explore the underlying mechanism of Guizhi Fuling Wan in treating endometriosis.
Wang et al. (2021)
5 more