MolNFT v1 · #188495 · protein
Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-cov-2 E
7TUQ · Bromodomain-containing protein 4: “Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-cov-2 E”. X-ray diffraction, 3 pockets (best druggability 0.60). MolNFT v1 #188495 on GenesisL1: 3D structure, binding…
- PDB
- 7TUQ
- Type
- protein
- Length
- 233 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4; Envelope small membrane protein
- UniProt
- O60885, P0DTC4
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 124 | 56% helix, 0% strand | O60885 |
| B | Bromodomain-containing protein 4 | protein | 106 | 60% helix, 0% strand | O60885 |
| C | Envelope small membrane protein | protein | 3 | 0% helix, 0% strand | P0DTC4 |
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 | 360 | 0.60 | 0.77 | 43 | empty |
| 2 | 62 | 0.44 | 0.82 | 14 | empty |
| 3 | 75 | 0.37 | 0.77 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 637 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 394 Ų buried · 2 hydrogen bonds · protein-protein
- B–C · 47 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (acetylation).
Compared structures
- 7TUQ · Crystal structure of BRD4 bromodomain 1 in complex with monoacetylated SARS-CoV-2 E · the same entry in another collection · chain A against A, 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 0.97
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
- Every structure of UniProt P0DTC4
- Elsewhere: RCSB PDB 7TUQ · PDBe 7TUQ · UniProt O60885 · UniProt P0DTC4
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