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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACreb-binding protein (EC 2.3.1.48)protein11468% helix, 0% strandQ92793

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1720.450.8118empty

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

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