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MolNFT v1 · #165404 · protein

The ROR1 pseudokinase domain bound to ponatinib

6TU9: “The ROR1 pseudokinase domain bound to ponatinib”. X-ray diffraction, 1 ligand (0LI). MolNFT v1 #165404 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TU9
Type
protein
Length
526 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q01973
Ligands
0LI

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein267—Q01973
B—protein259—Q01973

Ligands and binding sites

  • 0LI · 3-(imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl) phenyl}benzamide · ligand · 2 copies · chains A, B

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

Compared structures

  • 6TU9 · The ROR1 Pseudokinase Domain Bound To Ponatinib · the same entry in another collection · chain A against A, TM-score 1.00
  • Q01973 · AlphaFold monomer V2.0 prediction for inactive tyrosine-protein kinase transmembrane… · a predicted model of the same protein · chain A against A, TM-score 0.96

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