MolNFT v1 · #173163 · protein
NMR2 structure of BRD4-BD2 in complex with ibet-762
7AQT · Bromodomain-containing protein 4: “NMR2 structure of BRD4-BD2 in complex with ibet-762”. Solution nmr, 1 ligand (EAM), 1 pocket (best druggability 0.50). MolNFT v1 #173163 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 7AQT
- Type
- protein
- Length
- 109 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 4
- UniProt
- O60885
- Ligands
- EAM
- Pockets
- 1 · best druggability 0.50
Structure
solution nmr · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 4 | protein | 109 | 70% helix, 0% strand | O60885 |
Ligands and binding sites
- EAM · 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide · ligand · chains A
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 | 122 | 0.50 | 0.80 | 21 | EAM |
Compared structures
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 7AQT · PDBe 7AQT · UniProt O60885
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