› 5fh8

X-ray diffraction
1.55Å resolution

Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28

Released:
DOI: 10.2210/pdb5fh8/pdb
PDB entry 5fh8 coloured by chain, front view.
PDB entry 5fh8 coloured by chain, side view.
PDB entry 5fh8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
Sutherell CL, Tallant C, Monteiro OP, Yapp C, Fuchs JE, Fedorov O, Siejka P, Müller S, Knapp S, Brenton JD, Brennan PE, Ley SV
J Med Chem 59 5095-101 (2016)
PMID: 27119626

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-183177 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein polybromo-1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 124 amino acids
Theoretical weight: 14.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q86U86 (Residues: 645-766; Coverage: 7%)
Gene names: BAF180, PB1, PBRM1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

3 bound ligands:
Ligand 5XK 4 x 5XK
Ligand DMS 1 x DMS
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 64.58Å b: 62.42Å c: 65.82Å
α: 90° β: 91.75° γ: 90°
R-values:
R R work R free
0.189 0.187 0.224
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Bromodomain inhibitors and cancer therapy: From structures to applications.
Pérez-Salvia et al. (2017)
9 more

1 mention without citation

Identification and Development of 2,3-Dihydropyrrolo[1,2-a]quinazolin-5(1H)-one Inhibitors Targeting Bromodomains within the Switch/Sucrose Nonfermenting Complex.
Sutherell et al. (2016)