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Ligand · S54

S54 · N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

S54, N-(benzylsulfonyl)-D-valyl-N-(4-carbamimidoylbenzyl)-L-prolinamide (C25 H33 N5 O4 S, 499.6 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…

Component
S54
Formula
C25 H33 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S54 in 2 structures; the first of them:

  • 3RM0 · Human Thrombin in complex with MI354 · S54 H1 · binds TYR60A, GLU97A, ASN98, LEU99, ARG173, ILE174, TRP215, GLU217
  • 3RM0 · Human thrombin in complex with MI354 · S54 H1 · binds TYR60A, GLU97A, ASN98, LEU99, ARG173, ILE174, TRP215, GLU217

Residues it binds most

GLU 4, GLY 2, TRP 4, CYS 2, ILE 4, LEU 4, SER 2, TYR 4, ALA 2, ARG 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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