GL1X · GenesisL1 explorer

Ligand · 115

115 · (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid

115, (3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid (C24 H26 F N O4, 411.5 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its…

Component
115
Formula
C24 H26 F N O4
Class
ligand
Structures
3
PDB entries
2

Binding sites

115 in 3 structures; the first of them:

  • 1HWI · Complex of the catalytic portion of human hmg-CoA reductase with fluvastatin · 115 A2 · binds ARG590, MET657, SER661, VAL683, SER684, ASN686, CYS688, ASP690 and 14 more
  • 6ZU4 · Human Sirt6 13-308 in complex with ADP-ribose and the activator fluvastatin · 115 B403 · binds LYS15, ILE61, PRO62, PHE64, VAL70, TRP71, GLU74, PRO80 and 6 more
  • 6ZU4 · Human SIRT6 13-308 in complex with ADP-ribose and the activator fluvastatin · 115 B403 · binds LYS15, ILE61, PRO62, PHE64, VAL70, TRP71, GLU74, PRO80 and 6 more

Residues it binds most

LEU 4, LYS 6, SER 4, ALA 4, ASN 4, CYS 4, VAL 6, GLU 6, HIS 4, PHE 2 (residue and the binding sites it lines).

Found with

  • AR6 · [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [hydroxy-[[(2R,3S,4R,5S)-3,4,5-trihydroxyoxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
  • ZN · Zinc ion
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • ADP · Adenosine-5'-diphosphate

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