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MolNFT v1 · #184665 · protein

Crystal structure of GSK3BETA in complex with ARN25068

7OY5: “Crystal structure of GSK3BETA in complex with ARN25068”. X-ray diffraction, 2 ligands (39I, CL). MolNFT v1 #184665 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OY5
Type
protein
Length
687 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P49841
Ligands
39I, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein343—P49841
B—protein344—P49841

Ligands and binding sites

  • 39I · ~{N}4-(3-cyclopropyl-1~{H}-pyrazol-5-yl)-~{N}2-(phenylmethyl)thieno[3,2-d]pyrimidine-2,4-diamine · ligand · 2 copies · chains A, B
  • CL · Chloride ion · ion · 6 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7OY5 · Crystal structure of GSK3Beta in complex with ARN25068 · the same entry in another collection · chain A against A, TM-score 1.00
  • P49841 · AlphaFold monomer V2.0 prediction for glycogen synthase kinase-3 beta (P49841) · a predicted model of the same protein · chain B against A, TM-score 0.99

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