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Ligand · 4QR

4QR · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid

4QR, 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid (C22 H15 Cl2 N3 O6 S, 520.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB…

Component
4QR
Formula
C22 H15 Cl2 N3 O6 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

4QR in 2 structures; the first of them:

  • 7P2W · E.coli GyrB24 with inhibitor LMD92 (EBL2682) · 4QR A301 · binds VAL43, ASN46, ALA47, GLU50, VAL71, ASP73, ARG76, GLY77 and 11 more
  • 7P2W · E.COLI GYRB24 with inhibitor LMD92 (EBL2682) · 4QR A301 · binds VAL43, ASN46, GLU50, ASP73, ARG76, GLY77, ILE78, PRO79 and 8 more

Residues it binds most

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

Found with

  • MG · Magnesium ion
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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