› 5ame

X-ray diffraction
1.58Å resolution

Crystal structure of the bromodomain of human surface epitope engineered BRD1A in complex with 3D Consortium fragment 4-acetyl- piperazin-2-one (SGC - Diamond I04-1 fragment screening)

Released:
DOI: 10.2210/pdb5ame/pdb
PDB entry 5ame coloured by chain, front view.
PDB entry 5ame coloured by chain, side view.
PDB entry 5ame coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Pearce NM, Fairhead M, Strain-Damerell C, Talon R, Wright N, Ng JT, Bradley A, Cox O, Bowkett D, Collins P, Brandao-Neto J, Douangamath A, Krojer T, Burgess-Brown N, Brennan P, Arrowsmith CH, Edwards E, Bountra C, von Delft F

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-131987 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bromodomain-containing protein 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 135 amino acids
Theoretical weight: 15.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O95696 (Residues: 556-688; Coverage: 13%)
Gene names: BRD1, BRL, BRPF2
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

2 bound ligands:
Ligand PW3 1 x PW3
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P212121
Unit cell:
a: 55.554Å b: 56.537Å c: 101.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.183 0.181 0.204
Expression system: Escherichia coli BL21(DE3)

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