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Ligand · 36V

36V · trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione

36V, trans-2-[(2-nitrophenyl)sulfanyl]-5-phenylcyclohexane-1,3-dione (C18 H15 N O4 S, 341.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
36V
Formula
C18 H15 N O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

36V in 2 structures; the first of them:

  • 4QO7 · Lactate Dehydrogenase A in complex with substituted 3-Hydroxy-2-mercaptocyclohex-2-e… · 36V A803 · binds ASN137, LEU164, ASP165, ARG168, HIS192, GLY193, ASP194, VAL233 and 5 more
  • 4QO7 · Lactate dehydrogenase a in complex with substituted 3-hydroxy-2- mercaptocyclohex-2-enone… · 36V A803 · binds ASN137, LEU164, ASP165, ARG168, HIS192, GLY193, ASP194, VAL233 and 5 more

Residues it binds most

ASP 6, VAL 6, ALA 6, ARG 6, ASN 6, GLY 6, HIS 6, ILE 6, LEU 6, THR 6 (residue and the binding sites it lines).

Found with

  • 2OP · (2S)-2-hydroxypropanoic acid
  • NAI · 1,4-dihydronicotinamide adenine dinucleotide
  • SO4 · Sulfate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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