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Ligand · JJG

JJG · 4-[2-(phenylsulfanyl)ethyl]morpholine

JJG, 4-[2-(phenylsulfanyl)ethyl]morpholine (C12 H17 N O S, 223.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
JJG
Formula
C12 H17 N O S
Class
ligand
Structures
3
PDB entries
3

Binding sites

JJG in 3 structures; the first of them:

  • 5QEH · Pandda analysis group deposition -- crystal structure of PTP1B in complex with… · JJG A401 · binds MET1, GLU2, MET3, GLU6, ILE19, SER242, VAL244, ASP245 and 3 more
  • 5RED · Pandda analysis group deposition -- crystal structure of SARS-cov-2 main protease in… · JJG A404 · binds PHE103, VAL104, ARG105, ASP176, GLU178
  • 5RWE · INPP5D pandda analysis group deposition -- crystal structure of the phosphatase and C2… · JJG A901 · binds LEU620, ARG623, ARG624, PHE632

Residues it binds most

ARG 2, GLU 2, ASP 2, ILE 1, MET 1, PHE 2, VAL 2, LEU 1, LYS 1, SER 1 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol

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