› 7lro

X-ray diffraction
1.45Å resolution

Crystal structure of BPTF bromodomain in complex with inhibitor HZ-01-105

Released:
DOI: 10.2210/pdb7lro/pdb
PDB entry 7lro coloured by chain, front view.
PDB entry 7lro coloured by chain, side view.
PDB entry 7lro coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New Design Rules for Developing Potent Cell-Active Inhibitors of the Nucleosome Remodeling Factor (NURF) via BPTF Bromodomain Inhibition.
Zahid H, Buchholz CR, Singh M, Ciccone MF, Chan A, Nithianantham S, Shi K, Aihara H, Fischer M, Schönbrunn E, Dos Santos CO, Landry JW, Pomerantz WCK
J Med Chem 64 13902-13917 (2021)
PMID: 34515477

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-171405 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nucleosome-remodeling factor subunit BPTF Chains: A, B
Molecule details ›
Chains: A, B
Length: 123 amino acids
Theoretical weight: 14.46 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q12830 (Residues: 2917-3037; Coverage: 4%)
Gene names: BPTF, FAC1, FALZ
Sequence domains: Bromodomain

Ligands and Environments

3 bound ligands:
Ligand DMS 1 x DMS
Ligand YBV 2 x YBV
Ligand EDO 12 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21
Unit cell:
a: 58.41Å b: 27.07Å c: 76.92Å
α: 90° β: 93.87° γ: 90°
R-values:
R R work R free
0.16 0.159 0.191
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Bromodomain inhibitors and therapeutic applications.
Gajjela et al. (2023)
2 more