Research workbench
Structure of brdt bromodomain BD1 bound to a diacetylated histone H4 peptide.
Analyse Structure of brdt bromodomain BD1 bound to a diacetylated histone H4 peptide. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WP2
- Type
- protein
- Length
- 244 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain testis-specific protein; Histone H4
- UniProt
- Q91Y44, P62806
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 4 distinct chains · 56% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain testis-specific protein | protein | 114 | 61% helix, 0% strand | Q91Y44 |
| B | Bromodomain testis-specific protein | protein | 110 | 61% helix, 0% strand | Q91Y44 |
| P | Histone H4 | protein | 9 | 0% helix, 0% strand | P62806 |
| Q | Histone H4 | protein | 11 | 0% helix, 0% strand | P62806 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.51 | 0.78 | 27 | empty |
| 2 | 181 | 0.49 | 0.77 | 25 | empty |
| 3 | 83 | 0.34 | 0.75 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1364 Ų buried · 21 hydrogen bonds · protein-protein
- B–Q · 598 Ų buried · 6 hydrogen bonds · protein-protein
- A–P · 517 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (acetylation).
Compared structures
- 2WP2 · Structure of Brdt bromodomain BD1 bound to a diacetylated histone H4 peptide. · the same entry in another collection · chain Q against Q, TM-score 1.00
- Q91Y44 · AlphaFold monomer V2.0 prediction for bromodomain testis-specific protein (Q91Y44) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P62806 · AlphaFold monomer V2.0 prediction for histone H4 (P62806) · a predicted model of the same protein · chain P against A, TM-score 0.28
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 Q91Y44
- Every structure of UniProt P62806
- Elsewhere: RCSB PDB 2WP2 · PDBe 2WP2 · UniProt Q91Y44 · UniProt P62806
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