GL1X · GenesisL1 explorer

Ligand · J5H

J5H · ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] naphthalene-2-carbothioate

J5H, ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl]…

Component
J5H
Formula
C32 H42 N7 O17 P3 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

J5H in 4 structures; the first of them:

  • 6QKR · 2-Naphthoyl-CoA Reductase-2-Naphthoyl-CoA complex(NCR-NCoA-soaked complex) · J5H A804 · binds VAL38, TYR82, ILE153, LYS154, ARG155, ILE194, VAL195, TYR197 and 17 more
  • 6QKX · 2-Naphthoyl-CoA Reductase-DiHydroNaphthoyl-CoA complex(NCR-DHNCoA co-crystallized complex) · J5H A804 · binds VAL38, TYR82, MET116, ILE153, LYS154, ARG155, TYR156, ILE194 and 19 more
  • 6QKR · 2-naphthoyl-CoA reductase-2-naphthoyl-CoA COMPLEX(NCR-ncoa-soaked complex) · J5H A804 · binds VAL38, TYR82, ILE153, LYS154, ARG155, ILE194, VAL195, TYR197 and 17 more
  • 6QKX · 2-naphthoyl-CoA reductase-dihydronaphthoyl-CoA COMPLEX(NCR-dhncoa co- crystallized… · J5H A804 · binds VAL38, TYR82, ILE153, LYS154, ARG155, ILE194, VAL195, TYR197 and 16 more

Residues it binds most

ILE 6, TYR 6, PHE 6, VAL 6, ARG 6, GLY 6, ALA 6, GLU 6, HIS 6, LEU 6 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FMN · Flavin mononucleotide
  • SF4 · Iron/sulfur cluster

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