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Ligand · JIZ

JIZ · (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione

JIZ, (4~{S},11~{S},18~{S})-4,11-dimethyl-18-(sulfanylmethyl)-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione (C18 H18 N6 O3 S4, 494.6 g/mol), in the…

Component
JIZ
Formula
C18 H18 N6 O3 S4
Class
ligand
Structures
2
PDB entries
2

Binding sites

JIZ in 2 structures; the first of them:

  • 7ZK5 · ABCB1 L335C mutant (mABCB1) in the outward facing state bound to AAC · JIZ A2010 · binds LEU64, MET68, PHE78, TYR114, THR195, PHE332, CYS335, ILE336 and 9 more
  • 8PEE · ABCB1 L335C mutant (mABCB1) in the inward facing state bound to AAC · JIZ A1402 · binds MET68, TYR306, PHE332, CYS335, ILE336, PHE339, PHE724, SER975 and 4 more

Residues it binds most

PHE 2, MET 2, SER 2, TYR 2, CYS 2, ILE 2, ALA 1, GLN 1, LEU 1, THR 1 (residue and the binding sites it lines).

Found with

  • Y01 · Cholesterol hemisuccinate
  • ATP · Adenosine-5'-triphosphate
  • JJI · (4S,11S,18S)-4-[[(2,4-dinitrophenyl)disulfanyl]methyl]-11,18-dimethyl-6,13,20-trithia-3,10,17,22,23,24-hexazatetracyclo[17.2.1.1^{5,8}.1^{12,15}]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione
  • MG · Magnesium ion

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