› 4xct

X-ray diffraction
1.3Å resolution

Crystal structure of a hydroxamate based inhibitor ARP101 (EN73) in complex with the MMP-9 catalytic domain.

Released:
DOI: 10.2210/pdb4xct/pdb
PDB entry 4xct coloured by chain, front view.
PDB entry 4xct coloured by chain, side view.
PDB entry 4xct 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 Chain: A
Molecule details ›
Chain: A
Length: 157 amino acids
Theoretical weight: 17.57 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14780 (Residues: 113-444; Coverage: 23%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

8 bound ligands:
Ligand N73 1 x N73
Ligand ZN 2 x ZN
Ligand CA 3 x CA
Ligand DMS 2 x DMS
Ligand EDO 4 x EDO
Ligand GOL 1 x GOL
Ligand PGO 2 x PGO
Ligand BUD 1 x BUD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P3221
Unit cell:
a: 39.6Å b: 39.6Å c: 163.96Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.17 0.167 0.231
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

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

17 mentions without citation

Inhibitory Antibodies Designed for Matrix Metalloproteinase Modulation.
Fischer et al. (2019)
16 more