GL1X · GenesisL1 explorer

Ligand · S49

S49 · (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide

S49, (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-[(2R)-3-phenyl-2-[(phenylmethyl)sulfonylamino]propanoyl]pyrrolidine-2-carboxamide (C29 H33 N5 O4 S, 547.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
S49
Formula
C29 H33 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S49 in 2 structures; the first of them:

  • 4UFD · Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)… · S49 H1251 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, GLU146, ASP189 and 12 more
  • 4UFD · Thrombin in complex with 4-(((1-((2S)-1-((2R)-2-(benzylsulfonylamino)… · S49 H1251 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, GLU146, ASP189 and 12 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, LEU 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PO4 · Phosphate ion
  • GOL · Glycerol

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