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Ligand · SRE

SRE · (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine

SRE, (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (C17 H17 Cl2 N, 306.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (4 PDB entries). Every binding site with its residues within 4.5 Å…

Component
SRE
Formula
C17 H17 Cl2 N
Class
ligand
Structures
4
PDB entries
4

Binding sites

SRE in 4 structures; the first of them:

  • 8Z36 · Crystal structure of HOIP PUB domain in complex with sertraline complex · SRE A201 · binds LEU44, ARG47, ALA54, VAL57, ARG58, LEU69, LEU156, GLU159 and 6 more
  • 6AWO · X-ray structure of the TS3 human serotonin transporter complexed with sertraline at the… · SRE A701 · binds TYR95, ASP98, ALA169, ILE172, TYR176, PHE335, GLY338, PHE341 and 2 more
  • 6AWQ · Anomalous chloride signal reveals the position of sertraline complexed with the serotonin… · SRE A701 · binds TYR95, ASP98, ALA169, ILE172, TYR176, PHE335, GLY338, PHE341 and 2 more
  • 6F6N · Crystal structure of ebolavirus glycoprotein in complex with sertraline · SRE A508 · binds ILE38, ARG64, VAL66, ALA101, LEU184, LEU186, TYR517, MET548 and 2 more

Residues it binds most

LEU 4, ARG 4, ALA 6, TYR 3, GLY 2, PHE 2, VAL 4, GLU 3, ILE 3, ASP 2 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CLR · Cholesterol
  • NA · Sodium ion
  • CL · Chloride ion
  • BMA · beta-D-mannopyranose
  • MAN · alpha-D-mannopyranose
  • DMS · Dimethyl sulfoxide
  • GOL · Glycerol

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