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Ligand · K35

K35 · ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl) cyclohexyl]pentanamide

K35, ~{N}-[(1~{R},2~{R},3~{R},4~{S},5~{S},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl) cyclohexyl]pentanamide (C12 H23 N O6, 277.3 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site…

Component
K35
Formula
C12 H23 N O6
Class
ligand
Structures
2
PDB entries
2

Binding sites

K35 in 2 structures; the first of them:

  • 6Z39 · Structure of recombinant human beta-glucocerebrosidase in complex with BODIPY… · K35 AAA505 · binds ASP127, PHE128, TRP179, ASN234, GLU235, PHE246, GLN284, TYR313 and 4 more
  • 5NCX · Crystal structure of thermoanaerobacterium xylolyticum GH116 beta- glucosidase with an… · K35 A901 · binds GLU441, TYR445, TYR447, THR450, ASP452, HIS507, TYR523, TRP531 and 7 more

Residues it binds most

GLU 3, TRP 3, TYR 3, ASN 2, ASP 3, PHE 2, ARG 1, CYS 2, GLN 2, THR 1 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • GAI · Guanidine
  • Q65 · (1~{S},2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[4-[4-[(12~{R})-2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9-trien-8-yl]butyl]-1,2,3-triazol-1-yl]methyl]-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
  • CA · Calcium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol

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