Research workbench
A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human crebbp
Analyse A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6DMK
- Type
- protein
- Length
- 113 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Creb-binding protein
- EC
- 2.3.1.48
- UniProt
- Q92793
- Ligands
- 2LL, NO3
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein (EC 2.3.1.48) | protein | 113 | 67% helix, 0% strand | Q92793 |
Ligands and binding sites
- 2LL · 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl) ethyl]-2-(2-phenylethyl)-1H-benzimidazole · ligand · chains A
- NO3 · Nitrate ion · ion · 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 | 89 | 0.48 | 0.81 | 17 | 2LL |
Compared structures
- 6DMK · A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the… · the same entry in another collection · chain A against A, TM-score 1.00
- Q92793 · AlphaFold monomer V2.0 prediction for creb-binding protein (Q92793) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q92793
- Elsewhere: RCSB PDB 6DMK · PDBe 6DMK · UniProt Q92793
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