GL1X · GenesisL1 explorer

Ligand · TPY

TPY · (2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid

TPY, (2S,3S)-3-formyl-2-({[(4-nitrophenyl)sulfonyl]amino}methyl)pentanoic acid (C13 H16 N2 O7 S, 344.3 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues within 4.5 Å…

Component
TPY
Formula
C13 H16 N2 O7 S
Class
ligand
Structures
6
PDB entries
3

Binding sites

TPY in 6 structures; the first of them:

  • 1E36 · Porcine pancreatic elastase complexed with (3S, 4S)N-para-nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more
  • 1E37 · Porcine pancreatic elastase complexed with (3S, 4S)N-para-nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more
  • 1E38 · Porcine pancreatic elastase complexed with (3S, 4S)N-para-nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more
  • 1E36 · Porcine pancreatic elastase complexed with (3S, 4S)N-para- nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more
  • 1E37 · Porcine pancreatic elastase complexed with (3S, 4S)N-para-nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more
  • 1E38 · Porcine pancreatic elastase complexed with (3S, 4S)N-para-nitrobenzenesulphonyl… · TPY B280 · binds THR41, CYS42, HIS57, CYS58, VAL59, ASP60, ARG61, GLY190 and 9 more

Residues it binds most

CYS 6, ASP 6, GLY 6, SER 6, THR 6, VAL 6, ARG 6, GLN 6, HIS 6, PHE 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion

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