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Ligand · BSJ

BSJ · (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate

BSJ, (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl…

Component
BSJ
Formula
C36 H62 N11 O23 P3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

BSJ in 2 structures; the first of them:

  • 2VBQ · Structure of AAC(6')-Iy in complex with bisubstrate analog CoA-S… · BSJ A1000 · binds ARG18, LEU21, TRP22, HIS25, GLU79, GLY80, ILE81, PHE82 and 21 more
  • 2VBQ · Structure of AAC(6')-iy in complex with bisubstrate analog CoA-S… · BSJ A1000 · binds ARG18, LEU21, TRP22, HIS25, GLU79, GLY80, ILE81, PHE82 and 21 more

Residues it binds most

VAL 4, ARG 4, LEU 4, ALA 4, ASN 4, GLU 4, GLY 4, ILE 4, LYS 4, HIS 4 (residue and the binding sites it lines).

Found with

  • NI · Nickel (II) ion
  • GOL · Glycerol

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