MolNFT v1 · #170777 · protein
Crystal structure of the crebbp bromodomain in complex with a benzo- diazepine ligand
6YIM: “Crystal structure of the crebbp bromodomain in complex with a benzo- diazepine ligand”. X-ray diffraction, 1 ligand (OS8), 1 pocket (best druggability 0.50). MolNFT v1 #170777 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6YIM
- Type
- protein
- Length
- 114 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Crebbp
- EC
- 2.3.1.48, 2.3.1.-
- UniProt
- Q92793
- Ligands
- OS8
- Pockets
- 1 · best druggability 0.50
Structure
x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Crebbp (EC 2.3.1.48, 2.3.1.-) | protein | 114 | 65% helix, 0% strand | Q92793 |
Ligands and binding sites
- OS8 · (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide · ligand · 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 | 95 | 0.50 | 0.82 | 19 | OS8 |
Compared structures
- 6YIM · Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand · 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 0.99
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 6YIM · PDBe 6YIM · UniProt Q92793
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