MolNFT v1 · #121864 · protein
BRD9 in complex with CPD4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro- 1H-PYRROLO[2,3-C]PYRIDIN-4-yl)-N,N-dimethylbenzamide)
5I7Y · Bromodomain-containing protein 9: “BRD9 in complex with CPD4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro…”. X-ray diffraction, 1 ligand (69G), 1 pocket (best druggability 0.56). MolNFT v1 #121864 on GenesisL1: 3D structure, binding…
- PDB
- 5I7Y
- Type
- protein
- Length
- 101 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 9
- UniProt
- Q9H8M2
- Ligands
- 69G
- Pockets
- 1 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 9 | protein | 101 | 61% helix, 0% strand | Q9H8M2 |
Ligands and binding sites
- 69G · 3-{6-[(2E)-but-2-en-1-yl]-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl}-N,N-dimethylbenzamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.56 | 0.84 | 22 | 69G |
Compared structures
- 5I7Y · BRD9 in complex with Cpd4 ((E)-3-(6-(but-2-en-1-yl)-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyr… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9H8M2 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 9 (Q9H8M2) · a predicted model of the same protein · chain A 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 Q9H8M2
- Elsewhere: RCSB PDB 5I7Y · PDBe 5I7Y · UniProt Q9H8M2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.