› 4ofb

X-ray diffraction
3.05Å resolution

Crystal structure of human BRCA1 BRCT in complex with nonphosphopeptide inhibitor

Released:
DOI: 10.2210/pdb4ofb/pdb
PDB entry 4ofb coloured by chain, front view.
PDB entry 4ofb coloured by chain, side view.
PDB entry 4ofb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Peptide library approach to uncover phosphomimetic inhibitors of the BRCA1 C-terminal domain.
White ER, Sun L, Ma Z, Beckta JM, Danzig BA, Hacker DE, Huie M, Williams DC, Edwards RA, Valerie K, Glover JN, Hartman MC
ACS Chem Biol 10 1198-208 (2015)
PMID: 25654734

Function and Biology Details

Reaction catalysed: 
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L-cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153635 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Breast cancer type 1 susceptibility protein Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 24.53 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P38398 (Residues: 1646-1859; Coverage: 12%)
Gene names: BRCA1, RNF53
Sequence domains: BRCA1 C Terminus (BRCT) domain
Structure domains: BRCT domain
nonphosphopeptide inhibitor Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.65 KDa
Source organism: Homo sapiens
Expression system: Not provided

Ligands and Environments

No bound ligands
1 modified residue:
Ligand PFF 2 x PFF

Experiments and Validation Details

Entry percentile scores
X-ray source: CLSI BEAMLINE 08B1-1
Spacegroup: P41
Unit cell:
a: 37.811Å b: 37.811Å c: 175.993Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.212 0.21 0.238
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

5 review citations

In Vitro Selection of Peptides and Proteins-Advantages of mRNA Display.
Newton et al. (2020)
4 more

4 mentions without citation

Fanconi anemia pathway as a prospective target for cancer intervention.
Liu et al. (2020)
3 more