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Ligand · 6A8

6A8 · ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol

6A8, ((R)-1-((S)-3-(4-(aminomethyl)phenyl)-2-benzamidopropaneamido)-4-guanidinobutyl)boronic acid, cyclic double ester with glycerol (C25 H35 B N6 O5, 510.4 g/mol), in the MolNFT structures on GenesisL1: bound in 1 record (1 PDB entry).…

Component
6A8
Formula
C25 H35 B N6 O5
Class
ligand
Structures
1
PDB entries
1

Binding sites

6A8 in 1 structure; the first of them:

  • 5IDK · Crystal structure of West Nile Virus NS2B-NS3 protease in complex with a capped dipeptide… · 6A8 A1201 · binds ASP82, GLY83, ASN84, ALA1036, HIS1051, ASP1129, TYR1130, THR1132 and 10 more

Residues it binds most

GLY 3, TYR 3, ASN 3, ASP 3, THR 3, ALA 3, HIS 3, ILE 3, SER 3, PRO 2 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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