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Ligand · 8PD

8PD · (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid

8PD, (2~{S})-2-(hexadecanoylamino)-4-oxidanyl-butanoic acid (C20 H39 N O4, 357.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
8PD
Formula
C20 H39 N O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

8PD in 2 structures; the first of them:

  • 7W97 · Crystal Structure of the CYP102A1 (P450BM3) Heme Domain with N-Hexadecanoyl-L-Homoserine · 8PD A502 · binds LEU20, VAL26, LEU29, PHE42, ARG47, THR49, TYR51, SER72 and 16 more
  • 7W9D · Crystal Structure of the Oxomolybdenum Mesoporphyrin IX-Reconstituted CYP102A1 (P450BM3)… · 8PD A502 · binds LEU20, VAL26, LEU29, PHE42, ARG47, THR49, TYR51, SER72 and 17 more

Residues it binds most

LEU 4, ALA 4, THR 4, PHE 4, VAL 4, GLN 4, ILE 4, MET 4, PRO 4, SER 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • HEM · Protoporphyrin IX containing Fe
  • MI9 · Oxomolybdenum Mesoporphyrin IX

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