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Ligand · 11U

11U · (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide

11U, (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexylamino)ethanoyl)pyrrolidine-2-carboxamide (C21 H31 N5 O2, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (3 PDB entries). Every binding site with its residues…

Component
11U
Formula
C21 H31 N5 O2
Class
ligand
Structures
6
PDB entries
3

Binding sites

11U in 6 structures; the first of them:

  • 2ZQ1 · Exploring trypsin S3 pocket · 11U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 3BIV · Human thrombin-in complex with UB-THR11 · 11U H999 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 8 more
  • 3LJO · Bovine trypsin in complex with UB-THR 11 · 11U A501 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 8 more
  • 2ZQ1 · Exploring trypsin S3 pocket · 11U A501 · binds HIS57, ASN97, THR98, LEU99, GLN175, ASP189, SER190, CYS191 and 11 more
  • 3BIV · Human thrombin-in complex with ub-THR11 · 11U H999 · binds HIS57, TYR60A, TRP60D, LEU99, ASP189, ALA190, CYS191, GLU192 and 8 more
  • 3LJO · Bovine trypsin in complex with ub-thr 11 · 11U A501 · binds HIS57, LEU99, ASP189, SER190, CYS191, GLN192, SER195, VAL213 and 8 more

Residues it binds most

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

Found with

  • CA · Calcium ion
  • SO4 · Sulfate ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • GOL · Glycerol

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