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Ligand · VDM

VDM · (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

VDM, (1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol (C14 H25 N O8, 335.4 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (5 PDB entries).…

Component
VDM
Formula
C14 H25 N O8
Class
ligand
Structures
6
PDB entries
5

Binding sites

VDM in 6 structures; the first of them:

  • 5HVL · Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and… · VDM A502 · binds TRP98, ASP143, TYR144, HIS145, HIS171, ILE242, ARG280, ARG318 and 5 more
  • 5HVM · Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A in complex with UDP… · VDM A602 · binds TRP106, ASP151, HIS153, HIS179, HIS210, ILE249, ARG287, LYS292 and 6 more
  • 5HVO · Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP… · VDM A502 · binds TYR96, TRP105, ASP150, TYR151, HIS152, HIS179, HIS210, ILE249 and 7 more
  • 5Z66 · Structure of periplasmic trehalase from Diamondback moth gut bacteria complexed with… · VDM A609 · binds PRO150, ARG153, PHE154, TYR158, TRP160, ASP161, ASN197, TYR203 and 14 more
  • 8Z2T · Crystal structure of trehalose synthase from Deinococcus radiodurans complexed with… · VDM A603 · binds ASP63, TYR66, HIS106, ILE150, PHE151, PHE173, GLN177, ARG207 and 12 more
  • 5Z66 · Structure of periplasmic trehalase from diamondback moth gut bacteria complexed with… · VDM A609 · binds PRO150, ARG153, PHE154, TYR158, TRP160, ASP161, ASN197, TYR203 and 14 more

Residues it binds most

ARG 14, ASP 14, HIS 12, TYR 12, GLU 6, ASN 14, TRP 10, PHE 6, GLY 10, ILE 9 (residue and the binding sites it lines).

Found with

  • UDP · Uridine-5'-diphosphate
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • CA · Calcium ion
  • MG · Magnesium ion

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