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Ligand · EV1

EV1 · 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline

EV1, 1-(3,4-dimethoxybenzyl)-6,7-dimethoxyisoquinoline (C20 H21 N O4, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 9 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
EV1
Formula
C20 H21 N O4
Class
ligand
Structures
9
PDB entries
6

Binding sites

EV1 in 9 structures; the first of them:

  • 2WEY · Human PDE-papaverine complex obtained by ligand soaking of cross- linked protein crystals · EV1 A1771 · binds TYR524, HIS525, SER571, LEU635, LEU675, VAL678, ILE692, TYR693 and 6 more
  • 3IAK · Crystal structure of human phosphodiesterase 4d (PDE4d) with papaverine. · EV1 A415 · binds TYR159, HIS160, MET273, HIS276, LEU319, ASN321, TYR329, TRP332 and 7 more
  • 7DLS · Cytochrome P450 (CYP105D18) complex with papaverine · EV1 A402 · binds ALA85, LEU87, VAL231, VAL234, ALA235, THR239, ALA282, ASP283 and 4 more
  • 7N53 · Complex structure of PAP4 with papaverine · EV1 A202 · binds ARG63, LEU66, LEU70, MET85, ILE88, TRP89, GLY92, ILE93 and 14 more
  • 7UQM · Pathogenesis related 10-10 papaverine complex · EV1 A201 · binds PRO37, ILE40, HIS42, TRP63, TYR65, ALA74, GLU76, HIS89 and 8 more
  • 8VO3 · Pathogenesis related 10-10 C59S mutant papaverine complex · EV1 A201 · binds PRO37, HIS42, TRP63, TYR65, ALA74, GLU76, HIS89, ILE91 and 7 more
  • 2WEY · Human pde-papaverine complex obtained by ligand soaking of cross- linked protein crystals · EV1 A1771 · binds TYR524, HIS525, SER571, LEU635, LEU675, VAL678, ILE692, TYR693 and 6 more
  • 7DLS · Cytochrome P450 (CYP105D18) complex with papaverine · EV1 A402 · binds ALA85, LEU87, VAL231, VAL234, ALA235, ALA282, ASP283, GLY284 and 2 more
  • 7N53 · Complex structure of PAP4 with papaverine · EV1 A202 · binds ARG63, LEU66, LEU70, MET85, TRP89, GLY92, ILE93, HIS103 and 7 more

Residues it binds most

LEU 11, PHE 11, ILE 13, MET 9, ALA 8, VAL 10, HIS 9, TYR 7, GLY 10, TRP 7 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • ZN · Zinc ion
  • HEM · Protoporphyrin IX containing Fe
  • SO4 · Sulfate ion
  • GOL · Glycerol

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