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Ligand · 83I

83I · ethyl 4-chloranyl-3-oxidanylidene-butanoate

83I, ethyl 4-chloranyl-3-oxidanylidene-butanoate (C6 H9 Cl O3, 164.6 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 binds most and the…

Component
83I
Formula
C6 H9 Cl O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

83I in 2 structures; the first of them:

  • 7VYQ · Short chain dehydrogenase (SCR) cryoEM structure with NADP and ethyl 4-chloroacetoacetate · 83I A302 · binds THR122, SER172, ILE173, SER174, ASN179, GLN182, GLN184, TYR187 and 8 more
  • 7VYQ · Short chain dehydrogenase (scr) cryoem structure with NADP and ethyl 4-chloroacetoacetate · 83I A302 · binds THR122, SER172, SER174, ASN179, GLN182, GLN184, TYR187, TYR218 and 3 more

Residues it binds most

GLN 8, SER 8, TYR 8, THR 8, ALA 8, ILE 4, PHE 8, TRP 8, ASN 7, GLY 4 (residue and the binding sites it lines).

Found with

  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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