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Ligand · JKZ

JKZ · 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one

JKZ, 4-(trifluoromethyl)-1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one (C9 H8 F3 N O, 203.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues…

Component
JKZ
Formula
C9 H8 F3 N O
Class
ligand
Structures
2
PDB entries
1

Binding sites

JKZ in 2 structures; the first of them:

  • 3NK8 · Trypsin in complex with fluorine-containing fragment · JKZ A1 · binds HIS57, ASP189, SER190, CYS191, GLN192, GLY193, ASP194, SER195 and 8 more
  • 3NK8 · Trypsin in complex with fluorine-containing fragment · JKZ A1 · binds HIS57, ASP189, SER190, CYS191, GLN192, GLY193, ASP194, SER195 and 8 more

Residues it binds most

GLY 2, SER 2, ASP 2, CYS 2, GLN 2, HIS 2, TRP 2, VAL 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide

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