MolNFT v1 · #137819 · protein
Crebbp bromodomain in complex with CPD19 (3-(7-(difluoromethyl)-6-(1- methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1- (tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-PYRAZOLO[4,3- C]PYRIDINE-5-carboxamide)
5W0E · Creb-binding protein: “Crebbp bromodomain in complex with CPD19 (3-(7-(difluoromethyl)-6-(1…”. X-ray diffraction, 1 ligand (9U4), 1 pocket (best druggability 0.45). MolNFT v1 #137819 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5W0E
- Type
- protein
- Length
- 114 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
- 9U4
- Pockets
- 1 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 68% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Creb-binding protein (EC 2.3.1.48) | protein | 114 | 68% helix, 0% strand | Q92793 |
Ligands and binding sites
- 9U4 · 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4, 6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-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 | 72 | 0.45 | 0.81 | 18 | empty |
Compared structures
- 5W0E · CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-y… · 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 5W0E · PDBe 5W0E · UniProt Q92793
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