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Ligand · CB8

CB8 · (1R,4S,5R)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate

CB8, (1R,4S,5R)-3-(benzo[b]thiophen-2-yl)methoxy-1,4,5-trihydroxy-2-(thien-2-yl)methylcyclohex-2-en-1-carboxylate (C21 H20 O6 S2, 432.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
CB8
Formula
C21 H20 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

CB8 in 2 structures; the first of them:

  • 2Y77 · Structure of Mycobacterium tuberculosis type II dehydroquinase complexed with… · CB8 A1144 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ASN75, GLY77, GLY78 and 7 more
  • 2Y77 · Structure of mycobacterium tuberculosis type II dehydroquinase complexed with… · CB8 A1144 · binds PRO11, ASN12, LEU13, ARG15, LEU16, ASN75, GLY77, GLY78 and 7 more

Residues it binds most

ARG 2, ASN 2, GLY 2, HIS 2, LEU 2, ILE 2, PRO 2, SER 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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