Research workbench
Crystal structure of BRD4 bromodomain 1 in complex with dual- acetylated SARS-cov-2 E
Analyse Crystal structure of BRD4 bromodomain 1 in complex with dual- acetylated… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TV0
- Type
- protein
- Length
- 564 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4; Envelope small membrane protein
- UniProt
- O60885
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 4 distinct chains · 50% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 134 | 50% helix, 7% strand | O60885 |
| B | Bromodomain-containing protein 4 | protein | 136 | 50% helix, 4% strand | O60885 |
| C, D | Bromodomain-containing protein 4 | protein | 135 | 50% helix, 7% strand | O60885 |
| E, G | Envelope small membrane protein | protein | 12 | 67% helix, 0% strand | — |
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 888 | 0.73 | 0.77 | 65 | empty |
| 2 | 539 | 0.72 | 0.80 | 65 | empty |
| 3 | 521 | 0.71 | 0.80 | 64 | empty |
| 4 | 83 | 0.63 | 0.90 | 18 | empty |
| 5 | 134 | 0.59 | 0.84 | 25 | empty |
Interfaces
9 interfaces between chains.
- B–D · 1256 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 1211 Ų buried · 11 hydrogen bonds · protein-protein
- A–G · 563 Ų buried · 1 hydrogen bond · protein-protein
- B–E · 504 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 473 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (acetylation).
Compared structures
- 7TV0 · Crystal structure of BRD4 bromodomain 1 in complex with dual-acetylated SARS-CoV-2 E · the same entry in another collection · chain B against B, TM-score 1.00
- O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 O60885
- Elsewhere: RCSB PDB 7TV0 · PDBe 7TV0 · UniProt O60885
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