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Ligand · M31

M31 · N-(benzylsulfonyl)glycyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide

M31, N-(benzylsulfonyl)glycyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide (C22 H27 Cl N4 O4 S, 479.0 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…

Component
M31
Formula
C22 H27 Cl N4 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

M31 in 2 structures; the first of them:

  • 3RML · Human Thrombin in complex with MI331 · M31 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more
  • 3RML · Human thrombin in complex with MI331 · M31 H1 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 14 more

Residues it binds most

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