› 5myg

X-ray diffraction
2.3Å resolution

Crystal structure of the bromodomain of human BRPF1 in complex with NI-57 chemical probe

Released:
DOI: 10.2210/pdb5myg/pdb
PDB entry 5myg coloured by chain, front view.
PDB entry 5myg coloured by chain, side view.
PDB entry 5myg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design of a Chemical Probe for the Bromodomain and Plant Homeodomain Finger-Containing (BRPF) Family of Proteins.
Igoe N, Bayle ED, Tallant C, Fedorov O, Meier JC, Savitsky P, Rogers C, Morias Y, Scholze S, Boyd H, Cunoosamy D, Andrews DM, Cheasty A, Brennan PE, Müller S, Knapp S, Fish PV
J Med Chem 60 6998-7011 (2017)
PMID: 28714688

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-157220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peregrin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 116 amino acids
Theoretical weight: 13.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P55201 (Residues: 626-740; Coverage: 10%)
Gene names: BR140, BRPF1
Sequence domains: Bromodomain
Structure domains: Bromodomain-like

Ligands and Environments

1 bound ligand:
Ligand LS8 4 x LS8
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Unit cell:
a: 37.14Å b: 123.716Å c: 137.073Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.25 0.247 0.307
Expression system: Escherichia coli

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Citations

5 review citations

Bromodomain protein inhibition: a novel therapeutic strategy in rheumatic diseases.
Klein K. (2018)
4 more