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Ligand · SW2

SW2 · 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine

SW2, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine (C11 H12 N2, 172.2 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 the…

Component
SW2
Formula
C11 H12 N2
Class
ligand
Structures
4
PDB entries
2

Binding sites

SW2 in 4 structures; the first of them:

  • 3RXO · Crystal structure of Trypsin complexed with (3-pyrrol-1-ylphenyl)methanamine · SW2 A7 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL209, SER210, TRP211 and 4 more
  • 4ABD · Fragments bound to bovine trypsin for the SAMPL challenge · SW2 A1252 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL213, SER214, TRP215 and 4 more
  • 3RXO · Crystal structure of trypsin complexed with (3-pyrrol-1-ylphenyl) methanamine · SW2 A7 · binds ASP189, SER190, CYS191, GLN192, SER195, VAL209, SER210, TRP211 and 4 more
  • 4ABD · Fragments bound to bovine trypsin for the sampl challenge · SW2 A1252 · 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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