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Ligand · S28

S28 · N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

S28, N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide (C22 H27 N5 O4 S, 457.6 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 residues…

Component
S28
Formula
C22 H27 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S28 in 2 structures; the first of them:

  • 3RLW · Human Thrombin in complex with MI328 · S28 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more
  • 3RLW · Human thrombin in complex with MI328 · S28 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 13 more

Residues it binds most

GLU 2, GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASN 2, ASP 2, HIS 2, ILE 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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