› 4jwl

X-ray diffraction
1.95Å resolution

Complexe of ARNO Sec7 domain with the protein-protein interaction inhibitor N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide at pH7.5

Released:
DOI: 10.2210/pdb4jwl/pdb
PDB entry 4jwl coloured by chain, front view.
PDB entry 4jwl coloured by chain, side view.
PDB entry 4jwl coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-based identification of a locus in the Sec7 domain of Arno for the design of protein-protein interaction inhibitors.
Rouhana J, Hoh F, Estaran S, Henriquet C, Boublik Y, Kerkour A, Trouillard R, Martinez J, Pugnière M, Padilla A, Chavanieu A
J Med Chem 56 8497-511 (2013)
PMID: 24112024

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-189195 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cytohesin-2 Chain: A
Molecule details ›
Chain: A
Length: 217 amino acids
Theoretical weight: 24.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q99418 (Residues: 56-251; Coverage: 49%)
Gene names: ARNO, CYTH2, PSCD2, PSCD2L
Sequence domains: Sec7 domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand HRC 1 x HRC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P212121
Unit cell:
a: 32.75Å b: 66.09Å c: 90.21Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.171 0.166 0.256
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions.
Laraia et al. (2015)
6 more