GL1X · GenesisL1 explorer

Ligand · WCD

WCD · (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

WCD, (2R,3R,5R)-3-{[2-({N-[(2R)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (C18 H29 N3 O7 S, 431.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
WCD
Formula
C18 H29 N3 O7 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

WCD in 2 structures; the first of them:

  • 7KDY · Crystal structure of Streptomyces toku sis TokK with hydroxycobalamin, 5'-deoxyadenosine… · WCD A705 · binds GLU19, TYR20, TRP215, PHE247, ARG280, ASN282, GLU349, ARG379 and 8 more
  • 7KDY · Crystal structure of streptomyces tokunonesis tokk with hydroxycobalamin… · WCD A705 · binds GLU19, TYR20, PHE247, ARG280, ASN282, GLU349, TYR381, TYR410 and 4 more

Residues it binds most

TYR 2, ARG 2, ASN 2, GLU 2, ALA 2, GLY 2, PHE 2, TRP 1, VAL 1 (residue and the binding sites it lines).

Found with

  • 5AD · 5'-deoxyadenosine
  • B12 · Cobalamin
  • SF4 · Iron/sulfur cluster
  • K · Potassium ion
  • GOL · Glycerol
  • MET · Methionine

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