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Ligand · N77

N77 · 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide

N77, 7-(hydroxyamino)-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1,3-benzothiazole-2-carboxamide 3-oxide (C15 H11 F3 N4 O3 S, 384.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
N77
Formula
C15 H11 F3 N4 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

N77 in 2 structures; the first of them:

  • 4PFA · Crystal structure of M. tuberculosis in complex with BTO - covalent adduct · N77 A502 · binds GLY117, HIS132, GLY133, LYS134, SER228, TRP230, GLN334, GLN336 and 6 more
  • 4PFA · Crystal structure of M. tuberculosis in complex with bto - covalent adduct · N77 A502 · binds GLY117, HIS132, GLY133, LYS134, SER228, TRP230, GLN334, GLN336 and 6 more

Residues it binds most

LYS 4, GLN 4, GLY 4, ASN 4, CYS 4, HIS 4, SER 4, TRP 4, VAL 4, LEU 2 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide

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