MolNFT v1 · #101684 · protein
Crystal structure of the bromodomain of human crebbp in complex with a dihydroquinoxalinone ligand
4NYW · Creb-binding protein: “Crystal structure of the bromodomain of human crebbp in complex with a dihydroquinoxalinone ligand”. X-ray diffraction, 2 ligands (2O3, SCN), 1 pocket (best druggability 0.48). MolNFT v1 #101684 on GenesisL1…
- PDB
- 4NYW
- Type
- protein
- Length
- 116 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Creb-binding protein
- UniProt
- Q92793
- Ligands
- 2O3, SCN
- 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 | protein | 116 | 67% helix, 0% strand | Q92793 |
Ligands and binding sites
- 2O3 · (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide · ligand · chains A
- SCN · Thiocyanate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 2 copies · 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 | 82 | 0.48 | 0.82 | 17 | 2O3 |
Compared structures
- 4NYW · Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxali… · 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 4NYW · PDBe 4NYW · UniProt Q92793
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