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Ligand · JJ1

JJ1 · N-[(1S)-1-{[(1S)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide

JJ1, N-[(1S)-1-{[(1S)-5-amino-1-[(2-cyclohexylethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]-10-hydroxydecanamide (C27 H52 N4 O5, 512.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
JJ1
Formula
C27 H52 N4 O5
Class
ligand
Structures
2
PDB entries
1

Binding sites

JJ1 in 2 structures; the first of them:

  • 4C7I · Leismania major N-myristoyltransferase in complex with a peptidomimetic (-OH) molecule · JJ1 A1424 · binds TYR80, VAL81, GLU82, ASP83, ASP84, ASP85, MET87, PHE88 and 18 more
  • 4C7I · Leismania major N-myristoyltransferase in complex with a peptidomimetic (-oh) molecule · JJ1 A1424 · binds TYR80, VAL81, GLU82, ASP83, ASP84, ASP85, MET87, PHE88 and 18 more

Residues it binds most

ASP 2, GLY 2, PHE 2, TYR 2, HIS 2, MET 2, ALA 2, ARG 2, ASN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • MYA · Tetradecanoyl-coa
  • MG · Magnesium ion
  • DMS · Dimethyl sulfoxide

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