MolNFT v1 · #133751 · protein
Crystal structure of the first bromodomain of human BRD4 in complex with bms-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)- (oxan-4-YL)(PHENYL)METHYL]-5H-PYRIDO[3,2-B]INDOL-7-YL}PROPAN-2-ol
5S9R: “Crystal structure of the first bromodomain of human BRD4 in complex with bms-986158…”. X-ray diffraction, 2 ligands (YWA, IOD). MolNFT v1 #133751 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5S9R
- Type
- protein
- Length
- 126 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O60885
- Ligands
- YWA, IOD
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 126 | — | O60885 |
Ligands and binding sites
- YWA · 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol · ligand · chains A
- IOD · Iodide ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.97
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O60885
- Elsewhere: RCSB PDB 5S9R · PDBe 5S9R · UniProt O60885
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