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Ligand · GBS

GBS · 4-guanidinobenzoic acid

GBS, 4-guanidinobenzoic acid (C8 H9 N3 O2, 179.2 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
GBS
Formula
C8 H9 N3 O2
Class
ligand
Structures
9
PDB entries
8

Binding sites

GBS in 9 structures; the first of them:

  • 7DZD · Crystal structure of uPA in complex with cleaved camostat · GBS U301 · binds ASP189, SER190, CYS191, GLN192, GLY193, ASP194, SER195, VAL213 and 10 more
  • 7VM4 · Crystal structure of uPA in complex with nafamostat · GBS U301 · binds ASP189, SER190, CYS191, GLN192, GLY193, ASP194, SER195, VAL213 and 10 more
  • 7WR7 · Structure of Inhibited-EP · GBS B1105 · binds HIS825, ASP965, SER966, CYS967, GLN968, GLY969, ASP970, SER971 and 7 more
  • 7XYD · Crystal structure of TMPRSS2 in complex with Nafamostat · GBS C601 · binds HIS296, ASP435, SER436, CYS437, GLN438, GLY439, ASP440, SER441 and 10 more
  • 7Y0E · Crystal structure of TMPRSS2 in complex with Camostat · GBS C601 · binds HIS296, ASP435, SER436, CYS437, GLN438, GLY439, ASP440, SER441 and 10 more
  • 8HD8 · Crystal structure of TMPRSS2 in complex with 212-148 · GBS C601 · binds HIS296, TYR416, ASP435, SER436, CYS437, GLN438, GLY439, ASP440 and 12 more
  • 6ZOV · Enteropeptidase in complex with compound 6 · GBS A301 · binds ASP181, SER182, CYS183, GLN184, GLY185, SER187, THR205, SER206 and 5 more
  • 7DZD · Crystal structure of upa in complex with cleaved camostat · GBS U301 · binds ASP189, SER190, CYS191, GLN192, GLY193, SER195, VAL213, SER214 and 5 more
  • 7MEQ · Crystal structure of human TMPRSS2 in complex with nafamostat · GBS A601 · binds ASP435, SER436, CYS437, GLN438, GLY439, ASP440, SER441, THR459 and 6 more

Residues it binds most

GLY 15, SER 15, CYS 15, ASP 15, GLN 15, THR 12, ARG 10, TRP 10, PRO 9, HIS 7 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PGE · Triethylene glycol
  • CA · Calcium ion
  • GOL · Glycerol
  • UNX · Unknown atom or ion
  • EDO · 1,2-ethanediol

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