MolNFT v1 · #157094 · protein
C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl- 7-(6-methylquinolin-5-yl)-1H-BENZO[D]IMIDAZOL-5-yl)-3,5- dimethylisoxazole inhibitor
6MOA · Bromodomain-containing protein 2: “C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl…”. X-ray diffraction, 1 ligand (JW4), 1 pocket (best druggability 0.53). MolNFT v1 #157094 on GenesisL1: 3D structure, binding…
- PDB
- 6MOA
- Type
- protein
- Length
- 109 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain-containing protein 2
- UniProt
- P25440
- Ligands
- JW4
- Pockets
- 1 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 70% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain-containing protein 2 | protein | 109 | 70% helix, 0% strand | P25440 |
Ligands and binding sites
- JW4 · 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole · ligand · chains A
- GOL · Glycerol · additive · 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 | 101 | 0.53 | 0.83 | 19 | JW4 |
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 P25440
- Elsewhere: RCSB PDB 6MOA · PDBe 6MOA · UniProt P25440
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