GL1X · GenesisL1 explorer

Ligand · M9F

M9F · (2S)-2-amino-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid

M9F, (2S)-2-amino-6-[[(2R)-1-[[(2S)-1-hydroxy-3-methylsulfanyl-1-oxo-butan-2-yl]amino]-1-oxo-3-sulfanyl-propan-2-yl]amino]-6-oxo-hexanoic acid (C14 H25 N3 O6 S2, 395.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1…

Component
M9F
Formula
C14 H25 N3 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

M9F in 2 structures; the first of them:

  • 2Y6F · Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine · M9F A1332 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 2Y6F · Isopenicillin N synthase with ac-D-S-methyl-3R-methylcysteine · M9F A1332 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more

Residues it binds most

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

Found with

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

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