Research workbench
Crystal structure of cbp bromodomain liganded with UMB298 (compound 23)
Analyse Crystal structure of cbp bromodomain liganded with UMB298 (compound 23) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7KPY
- Type
- protein
- Length
- 230 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histone acetyltransferase
- EC
- 2.3.1.48
- UniProt
- I3L466
- Ligands
- WU1
- Pockets
- 4 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Histone acetyltransferase (EC 2.3.1.48) | protein | 115 | 68% helix, 0% strand | I3L466 |
Ligands and binding sites
- WU1 · 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1, 2-a]pyridin-3-amine · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.46 | 0.82 | 18 | empty |
| 2 | 69 | 0.44 | 0.81 | 17 | WU1 |
| 3 | 77 | 0.36 | 0.77 | 16 | empty |
| 4 | 97 | 0.35 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 99 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 7KPY · Crystal structure of CBP bromodomain liganded with UMB298 (compound 23) · 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 I3L466
- Elsewhere: RCSB PDB 7KPY · PDBe 7KPY · UniProt I3L466
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