Research workbench
Crystal structure of the bromodomain of human crebbp in complex with ACA007
Analyse Crystal structure of the bromodomain of human crebbp in complex with ACA007 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6SXX
- Type
- protein
- Length
- 226 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crebbp
- EC
- 2.3.1.48
- UniProt
- Q92793
- Ligands
- LXQ
- Pockets
- 1 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Crebbp (EC 2.3.1.48) | protein | 113 | 68% helix, 0% strand | Q92793 |
Ligands and binding sites
- LXQ · (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid · 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
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 | 458 | 0.74 | 0.83 | 57 | EDO, LXQ |
Interfaces
1 interface between chains.
- A–B · 634 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 6SXX · Crystal structure of the bromodomain of human CREBBP in complex with ACA007 · 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 B 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 6SXX · PDBe 6SXX · UniProt Q92793
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