MolNFT v1 · #161106 · protein
Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16I
6Q3Y: “Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16I”. X-ray diffraction, 1 ligand (HG5). MolNFT v1 #161106 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6Q3Y
- Type
- protein
- Length
- 248 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- O60885
- Ligands
- HG5
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | — | protein | 124 | — | O60885 |
Ligands and binding sites
- HG5 · (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl) phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6Q3Y · Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16i · the same entry in another collection · chain A against A, TM-score 1.00
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 6Q3Y · PDBe 6Q3Y · UniProt O60885
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