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Ligand · SW1

SW1 · 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine

SW1, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine (C8 H8 N2 S2, 196.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
SW1
Formula
C8 H8 N2 S2
Class
ligand
Structures
4
PDB entries
2

Binding sites

SW1 in 4 structures; the first of them:

  • 3RXM · Crystal structure of Trypsin complexed with [2-(2-thienyl)thiazol-4-yl]methanamine · SW1 A8 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL209, SER210, TRP211 and 4 more
  • 4ABA · Fragments bound to bovine trypsin for the SAMPL challenge · SW1 A1256 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 4 more
  • 3RXM · Crystal structure of trypsin complexed with [2-(2-THIENYL)THIAZOL-4- YL]METHANAMINE · SW1 A8 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL209, SER210, TRP211 and 4 more
  • 4ABA · Fragments bound to bovine trypsin for the sampl challenge · SW1 A1256 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 4 more

Residues it binds most

GLY 4, SER 4, CYS 4, ASP 4, GLN 4, TRP 4, VAL 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • DMS · Dimethyl sulfoxide
  • SO4 · Sulfate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol

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