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Ligand · NDT

NDT · 2-(toluene-4-sulfonyl)-2H-benzo[d][1,2,3]diazaborinin-1-ol

NDT, 2-(toluene-4-sulfonyl)-2H-benzo[d][1,2,3]diazaborinin-1-ol (C14 H13 B N2 O3 S, 300.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
NDT
Formula
C14 H13 B N2 O3 S
Class
ligand
Structures
2
PDB entries
2

Binding sites

NDT in 2 structures; the first of them:

  • 7WD3 · Cryo-EM structure of Drg1 hexamer treated with ATP and benzo-diazaborine · NDT A802 · binds MET294, GLN426, ARG429, THR458, ARG462, GLY275, GLY403
  • 7YKZ · Cryo-EM structure of Drg1 hexamer in the planar state treated with ADP/AMPPNP/Diazaborine · NDT D803 · binds MET294, ARG429, ALA455, THR458, GLY275, PRO402, GLY403

Residues it binds most

GLY 15, ARG 12, THR 12, GLN 10, MET 9, PRO 10, VAL 7, ALA 6, SER 6, LYS 5 (residue and the binding sites it lines).

Found with

  • ATP · Adenosine-5'-triphosphate
  • ADP · Adenosine-5'-diphosphate

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