5EQ1

Crystal structure of the human BRPF1 bromodomain in complex with SEED12

5EQ1 の概要

• エントリーDOI: 10.2210/pdb5eq1/pdb
• 関連するPDBエントリー: 5C85
• 分子名称: Peregrin, 5-METHYL-1,2,4-TRIAZOLO[3,4-B]BENZOTHIAZOLE, NITRATE ION, ... (4 entities in total)
• 機能のキーワード: bromodomain and phd finger-containing protein 1(brpf1), monocytic leukemia zinc-finger (moz), inhibitor, transcription, dna binding protein
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : P55201
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 13955.95

構造登録者

Zhu, J.,Caflisch, A. (登録日: 2015-11-12, 公開日: 2016-05-25, 最終更新日: 2024-01-10)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (1.55 Å)