MolNFT v1 · #107731 · protein
Bromodomain of human BRD9 with N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4- oxo-7-3-(TRIFLUOROMETHYL)PHENYL-4H,5H-thieno-3,2-C-pyridine-2- carboximidamide
4UIV · Bromodomain-containing protein 9: “Bromodomain of human BRD9 with N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4…”. X-ray diffraction, 1 ligand (XZB), 1 pocket (best druggability 0.50). MolNFT v1 #107731 on GenesisL1: 3D structure, binding…
- PDB
- 4UIV
- 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
- XZB
- Pockets
- 1 · best druggability 0.50
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
- XZB · N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c-pyridine-2-carboximidamide · ligand · chains A
- EDO · 1,2-ethanediol · additive · 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 | 90 | 0.50 | 0.82 | 18 | XZB |
Compared structures
- 4UIV · BROMODOMAIN OF HUMAN BRD9 WITH N-(1,1-dioxo-1-thian-4-yl)-5-methyl-4… · 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 4UIV · PDBe 4UIV · UniProt Q9H8M2
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