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Ligand · ZMQ

ZMQ · S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate

ZMQ, S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate (C27 H51 N2 O8 P S, 594.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
ZMQ
Formula
C27 H51 N2 O8 P S
Class
ligand
Structures
2
PDB entries
1

Binding sites

ZMQ in 2 structures; the first of them:

  • 3EJD · Crystal Structure of P450BioI in complex with hexadec-9Z-enoic acid ligated Acyl Carrier… · ZMQ A99 · binds SER56, TYR36, ARG59, THR60, PRO61, LEU62, PRO63, GLU64 and 21 more
  • 3EJD · Crystal structure of P450BIOI in complex with hexadec-9Z-enoic acid ligated acyl carrier… · ZMQ A99 · binds SER56, TYR36, ARG59, THR60, PRO61, LEU62, PRO63, GLU64 and 21 more

Residues it binds most

THR 8, LEU 8, ILE 8, PHE 8, ALA 8, ARG 8, GLN 8, MET 8, PRO 8, TYR 8 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion
  • HTG · heptyl 1-thio-beta-D-glucopyranoside

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