GL1X · GenesisL1 explorer

Ligand · 59I

59I · (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid

59I, (2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid (C15 H23 N O6 S, 345.4 g/mol), in the MolNFT structures on GenesisL1: bound in…

Component
59I
Formula
C15 H23 N O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

59I in 2 structures; the first of them:

  • 7F8P · Crystal structure of the Mycobacterium tuberculosis L,D-transpeptidase-2 (LdtMt2) with… · 59I A601 · binds MET303, TYR318, THR320, GLY332, HIS336, ALA338, TRP340, THR350 and 5 more
  • 7F8P · Crystal structure of the mycobacterium tuberculosis L,D- transpeptidase-2 (LDTMT2) with… · 59I A601 · binds MET303, TYR318, THR320, GLY332, HIS336, TRP340, SER351, HIS352 and 3 more

Residues it binds most

GLY 2, HIS 2, THR 2, ASN 2, CYS 2, MET 2, SER 2, TRP 2, TYR 2, ALA 1 (residue and the binding sites it lines).

Found with

  • 56X · (4R,5S,6S)-6-((R)-1-hydroxyethyl)-3-((2-isopropoxy-2-oxoethyl)thio)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
  • GOL · Glycerol
  • GLU · Glutamic acid

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