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Ligand · PMJ

PMJ · N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide

PMJ, N~2~-(benzylsulfonyl)-D-arginyl-N-(4-carbamimidoylbenzyl)glycinamide (C23 H32 N8 O4 S, 516.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
PMJ
Formula
C23 H32 N8 O4 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

PMJ in 8 structures; the first of them:

  • 3PMJ · Bovine trypsin variant X(tripleIle227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, TYR99, ASP189, ALA190, CYS191, GLN192, SER195 and 10 more
  • 3Q00 · Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3UOP · Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3V12 · Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3PMJ · Bovine trypsin variant X(TRIPLEILE227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, TYR99, ASP189, ALA190, CYS191, GLN192, SER195 and 10 more
  • 3Q00 · Bovine trypsin variant X(TRIPLEGLU217ILE227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3UOP · Bovine trypsin variant X(TRIPLEPHE227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more
  • 3V12 · Bovine trypsin variant X(TRIPLEGLU217PHE227) in complex with small molecule inhibitor · PMJ A302 · binds HIS57, GLU97, THR98, TYR99, PHE174, ASP189, ALA190, CYS191 and 11 more

Residues it binds most

GLY 8, SER 8, CYS 8, TYR 8, GLU 8, ALA 8, ASP 8, GLN 8, HIS 8, TRP 8 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • CL · Chloride ion
  • GOL · Glycerol
  • PEU · 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56, 59,62,65,68,71,74,77,80-heptacosaoxadooctacontan-82-ol
  • PEG · Di(hydroxyethyl)ether

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