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Ligand · 4KX

4KX · 1,5 Dienoyl-CoA

4KX, 1,5 Dienoyl-CoA (C28 H42 N7 O17 P3 S, 873.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
4KX
Formula
C28 H42 N7 O17 P3 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

4KX in 6 structures; the first of them:

  • 4Z3W · Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1,5 Dienoyl-CoA · 4KX A707 · binds PRO249, GLU251, TRP259, HIS260, ASN263, PHE264, ARG272, CYS322 and 17 more
  • 4Z3X · Active site complex BamBC of Benzoyl Coenzyme A reductase in complex with 1-Monoenoyl-CoA · 4KX A709 · binds LEU243, PRO249, GLU251, TRP259, HIS260, ASN263, PHE264, ARG272 and 20 more
  • 7P9A · Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with… · 4KX A502 · binds LEU84, ILE87, ALA88, ASP91, THR125, GLY130, SER131, ASP132 and 20 more
  • 4Z3W · Active site complex bambc of benzoyl coenzyme a reductase in complex with 1,5 dienoyl-CoA · 4KX A707 · binds PRO249, GLU251, TRP259, HIS260, ASN263, PHE264, ARG272, CYS322 and 17 more
  • 4Z3X · Active site complex bambc of benzoyl coenzyme a reductase in complex with 1-monoenoyl-CoA · 4KX A709 · binds LEU243, PRO249, GLU251, TRP259, HIS260, ASN263, PHE264, ARG272 and 20 more
  • 7P9A · Structure of cyclohex-1-ene-1-carboxyl-CoA dehydrogenase complexed with… · 4KX A502 · binds LEU84, ILE87, ALA88, ASP91, THR125, GLY130, SER131, ASP132 and 20 more

Residues it binds most

LEU 20, ASN 20, PHE 20, SER 20, ARG 20, MET 20, GLU 16, PRO 16, TYR 20, ILE 20 (residue and the binding sites it lines).

Found with

  • MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
  • SF4 · Iron/sulfur cluster
  • UNL · Unknown ligand
  • MG · Magnesium ion
  • W · Tungsten ion
  • FAD · Flavin-adenine dinucleotide
  • GOL · Glycerol
  • PG4 · Tetraethylene glycol
  • PGE · Triethylene glycol

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