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Ligand · XCJ

XCJ · N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide

XCJ, N-[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]-2-[2-(1H-pyrrol-1-yl)-1,3-thiazol-4-yl]acetamide (C17 H14 N4 O3 S3, 418.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
XCJ
Formula
C17 H14 N4 O3 S3
Class
ligand
Structures
2
PDB entries
1

Binding sites

XCJ in 2 structures; the first of them:

  • 7L00 · Crystal Structure of C. difficile Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex… · XCJ A402 · binds ALA20, TRP21, GLY43, ASN44, MET70, GLY94, ALA95, GLY96 and 10 more
  • 7L00 · Crystal structure of C. difficile enoyl-acyl carrier protein reductase (fabk) in complex… · XCJ A402 · binds ALA20, TRP21, GLY43, ASN44, MET70, GLY94, ALA95, GLY96 and 9 more

Residues it binds most

GLY 8, ALA 8, LEU 8, MET 8, ASN 8, GLU 8, HIS 8, PRO 8, VAL 8, TRP 6 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • NA · Sodium ion
  • GOL · Glycerol

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