MolNFT v1 · #111696 · protein
Crystal structure of BRD9 bromodomain bound to an acetylated peptide
4YYI · Bromodomain-containing protein 9: “Crystal structure of BRD9 bromodomain bound to an acetylated peptide”. X-ray diffraction, 2 pockets (best druggability 0.56). MolNFT v1 #111696 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4YYI
- Type
- protein
- Length
- 414 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 9; Histone H4
- UniProt
- Q9H8M2, P62805
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 60% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Bromodomain-containing protein 9 | protein | 100 | 62% helix, 0% strand | Q9H8M2 |
| C, F | Histone H4 | protein | 6 | 0% helix, 0% strand | P62805 |
| D, E | Bromodomain-containing protein 9 | protein | 101 | 61% helix, 0% strand | Q9H8M2 |
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.56 | 0.83 | 27 | empty |
| 2 | 126 | 0.54 | 0.82 | 26 | empty |
Interfaces
7 interfaces between chains.
- A–D · 399 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 326 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 325 Ų buried · 1 hydrogen bond · protein-protein
- E–F · 323 Ų buried · 3 hydrogen bonds · protein-protein
- D–F · 318 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 4 modified (acetylation).
Compared structures
- 4YYI · Crystal structure of BRD9 Bromodomain bound to an acetylated peptide · the same entry in another collection · chain F against F, 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
- Every structure of UniProt P62805
- Elsewhere: RCSB PDB 4YYI · PDBe 4YYI · UniProt Q9H8M2 · UniProt P62805
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