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Ligand · A6K

A6K · (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one

A6K, (3R)-3-azanyl-4-(4-chlorophenyl)-1-[(3S,4R)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one (C21 H24 Cl2 N2 O2, 407.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
A6K
Formula
C21 H24 Cl2 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

A6K in 2 structures; the first of them:

  • 4CGL · Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor · A6K A1000 · binds TYR80, VAL81, PHE90, TYR92, ASN167, THR203, ALA204, GLY205 and 11 more
  • 4CGL · Leishmania major N-myristoyltransferase in complex with an aminoacylpyrrolidine inhibitor · A6K A1000 · binds TYR80, VAL81, PHE90, TYR92, ASN167, THR203, ALA204, GLY205 and 11 more

Residues it binds most

TYR 2, ASN 2, LEU 2, MET 2, PHE 2, VAL 2, ALA 2, GLY 2, ILE 2, THR 2 (residue and the binding sites it lines).

Found with

  • MYA · Tetradecanoyl-coa
  • MG · Magnesium ion

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