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Ligand · JRF

JRF · 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile

JRF, 1-Hydroxy-3-(trifluoromethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile (C13 H6 F3 N3 O, 277.2 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…

Component
JRF
Formula
C13 H6 F3 N3 O
Class
ligand
Structures
3
PDB entries
2

Binding sites

JRF in 3 structures; the first of them:

  • 7ZK3 · Structure of 1PBC- and calcium-bound mTMEM16A(ac) chloride channel at 2.85 A resolution · JRF A1003 · binds VAL508, VAL511, ILE512, ARG515, THR539, VAL543, ASN546, PRO595 and 6 more
  • 8SUN · TMEM16F 1PBC · JRF B906 · binds PHE321, TYR325, LYS370, PHE374, MET507, LEU603, THR607, THR610
  • 7ZK3 · Structure of 1PBC- and calcium-bound MTMEM16A(AC) chloride channel at 2.85 a resolution · JRF A1003 · binds VAL508, VAL511, ILE512, ARG515, THR539, VAL543, ASN546, PRO595 and 6 more

Residues it binds most

VAL 4, ILE 4, THR 5, LYS 5, TYR 5, ARG 4, ASN 4, GLN 4, GLU 4, PRO 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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