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Ligand · W2X

W2X · N~6~-[(1R)-1-({[(1R,2R)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-L-lysine

W2X, N~6~-[(1R)-1-({[(1R,2R)-1-carboxy-3-hydroxy-2-methylpropyl]oxy}carbonyl)-2-mercaptoprop-2-en-1-yl]-6-oxo-L-lysine (C15 H24 N2 O8 S, 392.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding…

Component
W2X
Formula
C15 H24 N2 O8 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

W2X in 4 structures; the first of them:

  • 1W3X · Isopenicillin N synthase d-(L-a-aminoadipoyl)-(3R)-methyl-L-cysteine… · W2X A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 2VE1 · Isopenicillin N synthase with substrate analogue AsMCOV (oxygen exposed 1min 20bar) · W2X A402 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more
  • 1W3X · Isopenicillin N synthase D-(L-a-aminoadipoyl)-(3R)-methyl-L- cysteine… · W2X A1333 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 13 more
  • 2VE1 · Isopenicillin N synthase with substrate analogue asmcov (oxygen exposed 1MIN 20BAR) · W2X A402 · binds ARG87, TYR91, CYS104, SER183, VAL185, ILE187, TYR189, PHE211 and 12 more

Residues it binds most

LEU 4, HIS 4, PHE 4, SER 4, TYR 4, VAL 4, ARG 4, ASP 4, CYS 4, GLN 4 (residue and the binding sites it lines).

Found with

  • FE2 · Fe (II) ion
  • M11 · N^6^-[(1R,2S)-1-({[(1R)-1-carboxy-2-methylpropyl]oxy}carbonyl)-2-sulfanylpropyl]-6-oxo-L-lysine

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