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Ligand · 6G9

6G9 · 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid

6G9, 2-[[2-[[4,5-bis(bromanyl)-1~{H}-pyrrol-2-yl]carbonylamino]-1,3-benzothiazol-6-yl]amino]-2-oxidanylidene-ethanoic acid (C14 H8 Br2 N4 O4 S, 488.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
6G9
Formula
C14 H8 Br2 N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

6G9 in 2 structures; the first of them:

  • 5L3J · Escherichia COLI DNA gyrase B in complex with benzothiazole-based inhibitor · 6G9 A401 · binds VAL43, ASN46, GLU50, HIS55, VAL71, ASP73, ARG76, GLY77 and 5 more
  • 5L3J · Escherichia COLI DNA gyrase B in complex with benzothiazole-based inhibitor · 6G9 A401 · binds VAL43, ASN46, GLU50, HIS55, VAL71, ASP73, ARG76, GLY77 and 5 more

Residues it binds most

VAL 2, ARG 2, ASN 2, ASP 2, GLU 2, GLY 2, HIS 2, ILE 2, PRO 2, THR 2 (residue and the binding sites it lines).

Found with

  • IOD · Iodide ion

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