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Ligand · 10U

10U · (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide

10U, (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide (C20 H29 N5 O2, 371.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
10U
Formula
C20 H29 N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

10U in 6 structures; the first of them:

  • 2ZFT · Exploring trypsin S3 pocket · 10U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 10 more
  • 3BIU · Human thrombin-in complex with UB-THR10 · 10U H999 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 3LJJ · Bovine trypsin in complex with UB-THR 10 · 10U A501 · binds HIS57, LEU99, GLN175, ASP189, SER190, CYS191, GLN192, SER195 and 9 more
  • 2ZFT · Exploring trypsin S3 pocket · 10U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 10 more
  • 3BIU · Human thrombin-in complex with ub-THR10 · 10U H999 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 12 more
  • 3LJJ · Bovine trypsin in complex with ub-thr 10 · 10U A501 · binds HIS57, LEU99, GLN175, ASP189, SER190, CYS191, GLN192, SER195 and 9 more

Residues it binds most

GLY 6, SER 6, CYS 6, GLN 4, TRP 6, ASP 6, GLU 2, HIS 6, LEU 6, TYR 6 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SO4 · Sulfate ion
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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