MolNFT v1 · #95814 · protein
X-ray crystal structure of bromodomain 2 of human BRD2 in complex with RVX208 to 1.08 a resolution
4J1P · Bromodomain containing 2, isoform CRA_A: “X-ray crystal structure of bromodomain 2 of human BRD2 in complex with RVX208 to 1.08 a resolution”. X-ray diffraction, 1 ligand (1K0), 1 pocket (best druggability 0.48). MolNFT v1 #95814 on…
- PDB
- 4J1P
- Type
- protein
- Length
- 114 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Bromodomain containing 2, isoform CRA_A
- UniProt
- Q658Y7
- Ligands
- 1K0
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Bromodomain containing 2, isoform CRA_A | protein | 114 | 71% helix, 0% strand | Q658Y7 |
Ligands and binding sites
- 1K0 · 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one · ligand · chains A
- EDO · 1,2-ethanediol · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.48 | 0.81 | 20 | 1K0 |
Compared structures
- 4J1P · X-ray crystal structure of bromodomain 2 of human brd2 in complex with rvx208 to 1.08 A… · the same entry in another collection · chain A against A, TM-score 1.00
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 Q658Y7
- Elsewhere: RCSB PDB 4J1P · PDBe 4J1P · UniProt Q658Y7
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