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Ligand · RAL

RAL · Raloxifene

RAL, Raloxifene (C28 H27 N O4 S, 473.6 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (5 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
RAL
Formula
C28 H27 N O4 S
Class
ligand
Structures
8
PDB entries
5

Binding sites

RAL in 8 structures; the first of them:

  • 7NDO · ER-PRS*(-) (L536S, L372R) in complex with raloxifene · RAL A601 · binds MET343, LEU346, THR347, LEU349, ALA350, ASP351, GLU353, LEU354 and 18 more
  • 7OPN · Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene · RAL A3010 · binds PHE653, PHE655, PHE656, PHE777, LYS779, TYR780, ASP783, VAL811 and 5 more
  • 7ORC · Human Aldehyde Oxidase in complex with Raloxifene · RAL A1409 · binds PHE653, CYS654, PHE655, PHE656, PHE777, LYS779, TYR780, ASP783 and 6 more
  • 7KBS · Estrogen receptor alpha ligand binding domain in complex with raloxifene · RAL A601 · binds MET343, LEU346, THR347, ALA350, ASP351, GLU353, LEU354, TRP383 and 12 more
  • 7NDO · Er-prs*(-) (L536S, L372R) in complex with raloxifene · RAL A601 · binds LEU346, THR347, ALA350, ASP351, GLU353, LEU354, TRP383, LEU387 and 9 more
  • 7OPN · Human aldehyde oxidase SNP R1231H in complex with raloxifene · RAL A3010 · binds PHE653, PHE655, PHE656, PHE777, TYR780, ASP783, VAL811, LEU812 and 2 more
  • 7ORC · Human aldehyde oxidase in complex with raloxifene · RAL A1409 · binds PHE653, CYS654, PHE655, PHE656, PHE777, TYR780, ASP783, GLU882
  • 7UJC · Raloxifene in complex with estrogen receptor alpha ligand binding domain Y537S mutation · RAL A601 · binds LEU346, THR347, ALA350, ASP351, GLU353, LEU354, TRP383, LEU387 and 9 more

Residues it binds most

LEU 14, PHE 16, ASP 24, HIS 16, GLU 22, GLY 10, MET 7, TYR 16, VAL 13, ASN 14 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FES · Fe2/s2 (inorganic) cluster
  • MOS · Dioxothiomolybdenum(vi) ion
  • MTE · Phosphonic acidmono-(2-amino-5,6-dimercapto-4-oxo-3,7,8A,9,10,10A-hexahydro-4H-8-oxa-1,3,9,10-tetraaza-anthracen-7-ylmethyl)ester
  • MLI · Malonate ion
  • CL · Chloride ion
  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane

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