› 4o0a

X-ray diffraction
1.2Å resolution

Fragment-Based Discovery of a Potent Inhibitor of Replication Protein A Protein-Protein Interactions

Released:
DOI: 10.2210/pdb4o0a/pdb
PDB entry 4o0a coloured by chain, front view.
PDB entry 4o0a coloured by chain, side view.
PDB entry 4o0a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a potent inhibitor of replication protein a protein-protein interactions using a fragment-linking approach.
Frank AO, Feldkamp MD, Kennedy JP, Waterson AG, Pelz NF, Patrone JD, Vangamudi B, Camper DV, Rossanese OW, Chazin WJ, Fesik SW
J Med Chem 56 9242-50 (2013)
PMID: 24147804

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151049 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Replication protein A 70 kDa DNA-binding subunit, N-terminally processed Chain: A
Molecule details ›
Chain: A
Length: 123 amino acids
Theoretical weight: 13.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P27694 (Residues: 1-120; Coverage: 20%)
Gene names: REPA1, RPA1, RPA70
Sequence domains: Replication factor-A protein 1, N-terminal domain
Structure domains: Nucleic acid-binding proteins

Ligands and Environments

1 bound ligand:
Ligand 2P9 1 x 2P9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P212121
Unit cell:
a: 37.912Å b: 53.582Å c: 53.932Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.164 0.164 0.176
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

12 review citations

Oncogenic protein interfaces: small molecules, big challenges.
Nero et al. (2014)
11 more

1 mention without citation

Plasmodium berghei Brca2 is required for normal development and differentiation in mice and mosquitoes.
Yoshikawa et al. (2022)