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Ligand · K6U

K6U · (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole

K6U, (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole (C9 H8 N2 O2, 176.2 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
K6U
Formula
C9 H8 N2 O2
Class
ligand
Structures
3
PDB entries
3

Binding sites

K6U in 3 structures; the first of them:

  • 7GA9 · PanDDA analysis group deposition -- Crystal Structure of MAP1LC3B in complex with… · K6U A201 · binds ARG21, ARG24, GLU25
  • 7H3V · Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A… · K6U A202 · binds HIS21, SER87, TYR90, ARG93, SER105, GLU106, PRO107, CYS110 and 5 more
  • 7HM3 · PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with… · K6U B202 · binds PRO101, GLU102, TRP106, SER161, GLU162, CYS163, VAL164

Residues it binds most

SER 3, GLU 4, GLY 2, ARG 2, CYS 3, PRO 3, VAL 3, HIS 2, THR 2, TYR 2 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • ZN · Zinc ion
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide

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