5ETB

Crystal structure of the human BRPF1 bromodomain in complex with SEED13

Summary for 5ETB

Entry DOI	10.2210/pdb5etb/pdb
Related	5EQ1
Descriptor	Peregrin, 1-(7-methyl-1~{H}-indol-3-yl)ethanone, NITRATE ION, ... (4 entities in total)
Functional Keywords	bromodomain and phd finger-containing protein 1(brpf1), monocytic leukemia zinc-finger (moz), inhibitor, transcription, dna binding protein
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : P55201
Total number of polymer chains	1
Total formula weight	13938.91
Authors	Zhu, J.,Caflisch, A. (deposition date: 2015-11-17, release date: 2016-05-25, Last modification date: 2024-01-10)
Primary citation	Zhu, J.,Caflisch, A. Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions. J.Med.Chem., 59:5555-5561, 2016 Cited by PubMed Abstract: BRPF1 plays a scaffolding role in transcription. We report on fragment screening by high-throughput docking to the BRPF1 bromodomain which resulted in six chemotypes with very favorable ligand efficiency (0.45-0.50 kcal/mol per non-hydrogen atom). Twenty crystal structures of BRPF1/ligand complexes show structural conservation in the acetyllysine binding site, common binding motifs, and unusual interactions (e.g., the replacement of a conserved water molecule). The structural information is useful for the design of chemical probes. PubMed: 27167503 DOI: 10.1021/acs.jmedchem.6b00215 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.33 Å)

Structure validation