› 6ddi

X-ray diffraction
1.5Å resolution

Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue

Released:
DOI: 10.2210/pdb6ddi/pdb
PDB entry 6ddi coloured by chain, front view.
PDB entry 6ddi coloured by chain, side view.
PDB entry 6ddi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Bromodomain-Selective BET Inhibitors Are Potent Antitumor Agents against MYC-Driven Pediatric Cancer.
Slavish PJ, Chi L, Yun MK, Tsurkan L, Martinez NE, Jonchere B, Chai SC, Connelly M, Waddell MB, Das S, Neale G, Li Z, Shadrick WR, Olsen RR, Freeman KW, Low JA, Price JE, Young BM, Bharatham N, Boyd VA, Yang J, Lee RE, Morfouace M, Roussel MF, Chen T, Savic D, Guy RK, White SW, Shelat AA, Potter PM
Cancer Res 80 3507-3518 (2020)
PMID: 32651255

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150468 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 2 Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 138 amino acids
Theoretical weight: 16.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P25440 (Residues: 67-200; Coverage: 17%)
Gene names: BRD2, KIAA9001, RING3
Sequence domains: Bromodomain

Ligands and Environments

4 bound ligands:
Ligand G7V 3 x G7V
Ligand SO4 1 x SO4
Ligand EDO 3 x EDO
Ligand 03S 1 x 03S
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: C2
Unit cell:
a: 118.01Å b: 55.851Å c: 66.613Å
α: 90° β: 94.17° γ: 90°
R-values:
R R work R free
0.146 0.145 0.174
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

10 review citations

Achieving clinical success with BET inhibitors as anti-cancer agents.
Shorstova et al. (2021)
9 more

1 mention without citation

Dihydropyridine Lactam Analogs Targeting BET Bromodomains.
Jiang et al. (2022)