GL1X · GenesisL1 explorer

Ligand · UTI

UTI · (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol

UTI, (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol (C30 H33 Br F N3 O5, 614.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
UTI
Formula
C30 H33 Br F N3 O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

UTI in 2 structures; the first of them:

  • 8JR0 · Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in complex with TBAJ-587 · UTI 1600 · binds GLY58, GLU61, ALA62, TYR64, PHE65, LEU68, LEU59, ALA62 and 7 more
  • 8JR1 · Cryo-EM structure of Mycobacterium tuberculosis ATP synthase Fo in complex with TBAJ-587 · UTI 4600 · binds GLY58, GLU61, ALA62, TYR64, PHE65, LEU68, LEU59, ALA62 and 4 more

Residues it binds most

ALA 14, LEU 14, ILE 14, PHE 14, GLU 14, GLY 14, TYR 14, PRO 2, VAL 2 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • ATP · Adenosine-5'-triphosphate
  • MG · Magnesium ion

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