5DYC
Crystal structure of the human BRPF1 bromodomain in complex with SEED6
Summary for 5DYC
| Entry DOI | 10.2210/pdb5dyc/pdb |
| Related | 5C7N 5C85 5C87 5C89 5D7X 5DY7 5DYA |
| Descriptor | Peregrin, NITRATE ION, 7-bromo-3,4-dihydroquinoxalin-2(1H)-one, ... (4 entities in total) |
| Functional Keywords | dna binding protein, bromodomain and phd finger-containing protein 1(brpf1), monocytic leukemia zinc-finger (moz), inhibitor, transcription |
| Biological source | Homo sapiens (Human) |
| Cellular location | Nucleus : P55201 |
| Total number of polymer chains | 1 |
| Total formula weight | 13992.76 |
| Authors | Zhu, J.,Caflisch, A. (deposition date: 2015-09-24, 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: 27167503DOI: 10.1021/acs.jmedchem.6b00215 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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