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Ligand · R1H

R1H · tariquidar

R1H, tariquidar (C38 H38 N4 O6, 646.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
R1H
Formula
C38 H38 N4 O6
Class
ligand
Structures
6
PDB entries
4

Binding sites

R1H in 6 structures; the first of them:

  • 7A6E · Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and tariquidar · R1H A1301 · binds LEU65, MET68, MET69, PHE72, PHE303, TYR307, TYR310, PHE336 and 13 more
  • 7NEQ · Structure of tariquidar-bound ABCG2 · R1H B1101 · binds PHE432, THR435, ASN436, PHE439, SER440, VAL442, THR542, VAL546 and 10 more
  • 8BHT · ABCG2 turnover-1 state with tariquidar bound · R1H B703 · binds PHE432, THR435, ASN436, PHE439, LEU539, THR542, VAL546, MET549 and 11 more
  • 8BI0 · ABCG2 turnover-2 state with tariquidar bound · R1H B1505 · binds GLN393, THR435, ASN436, PHE439, GLU446, VAL534, THR538, THR542 and 14 more
  • 7A6E · Nanodisc reconstituted human ABCB1 in complex with MRK16 Fab and tariquidar · R1H A1301 · binds LEU65, MET69, PHE72, PHE303, TYR307, PHE336, GLN725, PHE728 and 8 more
  • 7NEQ · Structure of tariquidar-bound ABCG2 · R1H B1101 · binds PHE432, THR435, ASN436, PHE439, SER440, VAL442, THR542, VAL546 and 8 more

Residues it binds most

PHE 8, THR 4, MET 6, VAL 4, TYR 4, LEU 7, SER 7, ASN 5, GLN 6, GLU 5 (residue and the binding sites it lines).

Found with

  • CLR · Cholesterol
  • ATP · Adenosine-5'-triphosphate
  • U9N · [(2~{S})-3-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-2-decanoyloxy-propyl] octadecanoate
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • PLC · Diundecyl phosphatidyl choline
  • MG · Magnesium ion

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