GL1X · GenesisL1 explorer

MolNFT v1 · #190364 · protein

Cbp-brd complexed with NEO2734

7WX2 · Creb-binding protein: “Cbp-brd complexed with NEO2734”. X-ray diffraction, 1 ligand (7OW), 1 pocket (best druggability 0.50). MolNFT v1 #190364 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7WX2
Type
protein
Length
117 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Creb-binding protein
EC
2.3.1.48, 2.3.1.-
UniProt
Q92793
Ligands
7OW
Pockets
1 · best druggability 0.50

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACreb-binding protein (EC 2.3.1.48, 2.3.1.-)protein11767% helix, 0% strandQ92793

Ligands and binding sites

  • 7OW · 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one · 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
11100.500.80227OW

Compared structures

  • 7WX2 · CBP-BrD complexed with NEO2734 · 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 0.98

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