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Ligand · S29

S29 · N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

S29, N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide (C23 H29 N5 O4 S, 471.6 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
S29
Formula
C23 H29 N5 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

S29 in 2 structures; the first of them:

  • 3RLY · Human Thrombin in complex with MI329 · S29 H1 · binds HIS57, TYR60A, TRP60D, LEU99, GLU146, ILE174, ASP189, ALA190 and 11 more
  • 3RLY · Human thrombin in complex with MI329 · S29 H1 · binds HIS57, TYR60A, TRP60D, LEU99, GLU146, ILE174, ASP189, ALA190 and 11 more

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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