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Ligand · WR2

WR2 · (2R,3R)-N^1^-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide

WR2, (2R,3R)-N^1^-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-N^4^-hydroxy-2-(2-methylpropyl)-3-{[(1,3-thiazol-2-ylcarbonyl)amino]methyl}butanediamide (C20 H33 N5 O5 S, 455.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8…

Component
WR2
Formula
C20 H33 N5 O5 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

WR2 in 8 structures; the first of them:

  • 2W12 · High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 10 more
  • 2W13 · High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more
  • 2W14 · High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more
  • 2W15 · High-resolution crystal structure of the P-I snake venom metalloproteinase BaP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more
  • 2W12 · High-resolution crystal structure of the P-I snake venom metalloproteinase BAP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 10 more
  • 2W13 · High-resolution crystal structure of the P-I snake venom metalloproteinase BAP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more
  • 2W14 · High-resolution crystal structure of the P-I snake venom metalloproteinase BAP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more
  • 2W15 · High-resolution crystal structure of the P-I snake venom metalloproteinase BAP1 in… · WR2 A1204 · binds SER71, SER72, GLY105, ASN106, THR107, ILE108, GLY109, ARG110 and 9 more

Residues it binds most

HIS 8, SER 8, GLY 8, THR 8, ALA 8, ARG 8, ASN 8, GLU 8, ILE 8, LEU 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • GOL · Glycerol
  • ACT · Acetate ion
  • IMD · Imidazole

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