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Ligand · NCW

NCW · (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide

NCW, (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide (C15 H28 N2 O4 S, 332.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
NCW
Formula
C15 H28 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

NCW in 2 structures; the first of them:

  • 2VRJ · Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5… · NCW A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, VAL169, VAL179, HIS180 and 11 more
  • 2VRJ · Beta-glucosidase from thermotoga maritima in complex with N… · NCW A1446 · binds GLN20, HIS121, TRP122, ASN165, GLU166, VAL169, VAL179, HIS180 and 11 more

Residues it binds most

TRP 4, GLU 4, ASN 4, HIS 4, VAL 4, TYR 4, GLN 4, PHE 4, ALA 2, MET 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ACT · Acetate ion

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