MolNFT v1 · #190215 · protein
Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158
7WNI: “Crystal structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158”. X-ray diffraction, 1 ligand (JGU). MolNFT v1 #190215 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7WNI
- Type
- protein
- Length
- 218 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- P25440
- Ligands
- JGU
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 110 | — | P25440 |
| B | — | protein | 108 | — | P25440 |
Ligands and binding sites
- JGU · 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 7WNI · Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor… · the same entry in another collection · chain A against A, TM-score 1.00
- P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P25440
- Elsewhere: RCSB PDB 7WNI · PDBe 7WNI · UniProt P25440
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