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Ligand · YDB

YDB · 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid

YDB, 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid (C9 H12 B N7 O5 S2, 373.2 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (6 PDB entries). Every…

Component
YDB
Formula
C9 H12 B N7 O5 S2
Class
ligand
Structures
6
PDB entries
6

Binding sites

YDB in 6 structures; the first of them:

  • 8FQM · ADC-7 in complex with boronic acid transition state inhibitor MB076 · YDB A403 · binds SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL212, ASN213 and 8 more
  • 8FQO · ADC-33 in complex with boronic acid transition state inhibitor MB076 · YDB B401 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, ARG211 and 11 more
  • 8FQQ · ADC-162 in complex with boronic acid transition state inhibitor MB076 · YDB A401 · binds SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL212, ASN213 and 6 more
  • 8FQS · ADC-212 in complex with boronic acid transition state inhibitor MB076 · YDB B401 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL212 and 9 more
  • 8FQU · ADC-219 in complex with boronic acid transition state inhibitor MB076 · YDB B401 · binds SER64, GLN120, TYR150, ASN152, VAL212, ASN213, TYR223, GLY315 and 4 more
  • 8FQW · ADC-30 in complex with boronic acid transition state inhibitor MB076 · YDB B401 · binds GLY63, SER64, LYS67, LEU119, GLN120, TYR150, ASN152, VAL212 and 10 more

Residues it binds most

ASN 13, SER 13, TYR 13, THR 13, GLY 13, ARG 13, LYS 9, GLN 13, VAL 13, LEU 8 (residue and the binding sites it lines).

Found with

  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide
  • GLY · Glycine

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