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Ligand · XC2

XC2 · (3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid

XC2, (3R)-8-cyclopropyl-6-(morpholin-4-ylmethyl)-7-(1-naphthylmethyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid (C27 H28 N2 O4 S, 476.6 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB…

Component
XC2
Formula
C27 H28 N2 O4 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

XC2 in 4 structures; the first of them:

  • 2J7L · E. coli P Pilus chaperone PapD in complex with a pilus biogenesis inhibitor, pilicide 2c · XC2 A1216 · binds LEU32, VAL56, GLN57, ARG58, ILE93, PRO94, PRO95, ARG96
  • 2XG4 · E. coli P pilus chaperone-subunit complex PapD-PapH bound to pilus biogenesis inhibitor… · XC2 A1218 · binds LEU32, VAL56, GLN57, ARG58, ILE93, ARG96
  • 2J7L · E.COLI P pilus chaperone papd in complex with a pilus biogenesis inhibitor, pilicide 2C · XC2 A1216 · binds LEU32, VAL56, GLN57, ARG58, ILE93, PRO94, PRO95, ARG96
  • 2XG4 · E. COLI P pilus chaperone-subunit complex papd-paph bound to pilus biogenesis inhibitor… · XC2 A1218 · binds LEU32, VAL56, GLN57, ARG58, ILE93, ARG96

Residues it binds most

ARG 4, GLN 4, ILE 4, LEU 4, PRO 2, VAL 4 (residue and the binding sites it lines).

Found with

  • CO · Cobalt (II) ion
  • GOL · Glycerol

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