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Ligand · 98T

98T · methyl 3-iodanyl-4-oxidanyl-benzoate

98T, methyl 3-iodanyl-4-oxidanyl-benzoate (C8 H7 I O3, 278.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
98T
Formula
C8 H7 I O3
Class
ligand
Structures
3
PDB entries
2

Binding sites

98T in 3 structures; the first of them:

  • 7NNW · Crystal structure of Mycobacterium tuberculosis ArgF in complex with methyl… · 98T B402 · binds THR51, ARG52, PHE55, ILE45, LEU78, GLU82, THR87, VAL90 and 2 more
  • 7NLS · Crystal structure of mycobacterium tuberculosis argb in complex with methyl… · 98T A301 · binds ILE127, ASP131, LEU168, ARG173
  • 7NNW · Crystal structure of mycobacterium tuberculosis argf in complex with methyl… · 98T B402 · binds THR51, ARG52, PHE55, ILE45, LEU78, GLU82, THR87, VAL90 and 2 more

Residues it binds most

LEU 13, THR 11, VAL 12, ARG 13, ILE 13, PHE 12, TYR 12, GLU 8, SER 4, ASP 1 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • SO4 · Sulfate ion

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