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Ligand · KKA

KKA · (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid

KKA, (2S)-2-azanyl-6-oxidanylidene-6-[[(2S)-1-oxidanyl-1-oxidanylidene-4-sulfanyl-butan-2-yl]amino]hexanoic acid (C10 H18 N2 O5 S, 278.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
KKA
Formula
C10 H18 N2 O5 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

KKA in 2 structures; the first of them:

  • 4BB3 · Isopenicillin N synthase with the dipeptide substrate analogue AhC · KKA A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, PHE211, HIS214, ASP216 and 6 more
  • 4BB3 · Isopenicillin N synthase with the dipeptide substrate analogue ahc · KKA A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, PHE211, HIS214, ASP216 and 6 more

Residues it binds most

HIS 2, LEU 2, PHE 2, ARG 2, ASN 2, ASP 2, CYS 2, SER 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • SO4 · Sulfate ion

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