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Ligand · VAK

VAK · methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate

VAK, methyl (1R,2R,4S)-2-ethyl-2,4,5,7-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate (C22 H20 O8, 412.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (3 PDB entries). Every binding site with its…

Component
VAK
Formula
C22 H20 O8
Class
ligand
Structures
4
PDB entries
3

Binding sites

VAK in 4 structures; the first of them:

  • 7PGA · Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB… · VAK A402 · binds TRP106, VAL113, PHE142, TYR143, PHE156, MET160, PHE253, LEU256 and 11 more
  • 7PHE · Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB… · VAK A401 · binds TRP106, PHE156, MET160, ARG163, GLU164, ALA167, PHE168, PHE253 and 6 more
  • 7PHF · Chimeric carminomycin-4-O-methyltransferase (DnrK) with regions from 10-hydroxylase RdmB… · VAK B402 · binds TRP106, VAL113, TYR143, MET160, THR162, PHE253, LEU256, ASN257 and 9 more
  • 7PGA · Chimeric carminomycin-4-O-methyltransferase (dnrk) with regions from 10-hydroxylase rdmb… · VAK A402 · binds TRP106, VAL113, PHE142, TYR143, PHE156, MET160, PHE253, ASN257 and 10 more

Residues it binds most

PHE 13, LEU 13, MET 13, VAL 13, ARG 13, ASN 13, TRP 13, PRO 10, TYR 8, ILE 4 (residue and the binding sites it lines).

Found with

  • SAH · S-adenosyl-L-homocysteine

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