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Ligand · IHA

IHA · {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid

IHA, {[2-({[5-(2,6-dimethoxyphenyl)-1,2,4-triazin-3-yl]amino}methyl)-1,3-benzothiazol-5-yl]oxy}acetic acid (C21 H19 N5 O5 S, 453.5 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with…

Component
IHA
Formula
C21 H19 N5 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

IHA in 4 structures; the first of them:

  • 4E8W · Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive… · IHA A501 · binds ASN202, THR238, ARG239, SER240, GLU241, GLY243, MET244, ALA257 and 9 more
  • 4E8Y · Crystal Structure of Burkholderia cenocepacia HldA in Complex with an ATP-competitive… · IHA A501 · binds ASN202, THR238, ARG239, SER240, GLU241, GLY243, MET244, ALA257 and 12 more
  • 4E8W · Crystal structure of burkholderia cenocepacia hlda in complex with an ATP-competitive… · IHA A501 · binds ASN202, THR238, ARG239, SER240, GLU241, GLY243, MET244, ALA257 and 9 more
  • 4E8Y · Crystal structure of burkholderia cenocepacia hlda in complex with an ATP-competitive… · IHA A501 · binds ASN202, THR238, ARG239, SER240, GLU241, GLY243, MET244, ALA257 and 12 more

Residues it binds most

ALA 8, VAL 8, GLY 8, ASN 8, ARG 8, GLU 8, LEU 8, MET 8, SER 8, THR 8 (residue and the binding sites it lines).

Found with

  • K · Potassium ion
  • M7B · 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose
  • CL · Chloride ion
  • PO4 · Phosphate ion

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