MolNFT v1 · #104481 · protein
Crystal structure of human BAZ2A bromodomain in complex with a diacetylated histone 4 peptide (H4K16ACK20AC)
4QBM · Bromodomain adjacent to zinc finger domain protein 2A: “Crystal structure of human BAZ2A bromodomain in complex with a diacetylated histone 4 peptide (H4K16ACK20AC)”. X-ray diffraction, 1 pocket (best druggability 0.51). MolNFT v1…
- PDB
- 4QBM
- Type
- protein
- Length
- 229 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain adjacent to zinc finger domain protein 2A; Histone H4 peptide with sequence…
- UniProt
- Q9UIF9
- Pockets
- 1 · best druggability 0.51
Structure
x-ray diffraction · 3 distinct chains · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain adjacent to zinc finger domain protein 2A | protein | 106 | 71% helix, 0% strand | Q9UIF9 |
| B | Bromodomain adjacent to zinc finger domain protein 2A | protein | 105 | 70% helix, 1% strand | Q9UIF9 |
| C, D | Histone H4 peptide with sequence gly-ala-LYS(AC)-arg-his- arg-LYS(AC)-val-leu | protein | 9 | 0% helix, 0% strand | — |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · chains B
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 | 132 | 0.51 | 0.80 | 22 | empty |
Interfaces
6 interfaces between chains.
- B–D · 545 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 517 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 198 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 102 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 94 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (acetylation).
Compared structures
- 4QBM · Crystal structure of human BAZ2A bromodomain in complex with a diacetylated histone 4… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UIF9 · AlphaFold monomer V2.0 prediction for bromodomain adjacent to zinc finger domain protein… · 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 Q9UIF9
- Elsewhere: RCSB PDB 4QBM · PDBe 4QBM · UniProt Q9UIF9
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