GL1X · GenesisL1 explorer

Ligand · 3WE

3WE · (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one

3WE, (2E,3aR,14aS)-9-bromo-2-imino-1,2,3,5,6,14a-hexahydro-4H,8H-imidazo[4',5':5,6]pyrrolo[1',2':4,5]pyrazino[1,2-a]indol-8-one (C15 H14 Br N5 O, 360.2 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every…

Component
3WE
Formula
C15 H14 Br N5 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

3WE in 2 structures; the first of them:

  • 4RUR · Yeast 20S proteasome in complex with the alkaloid indolo-phakellin (4) · 3WE L301 · binds ALA20, THR21, ALA27, SER28, VAL31, ALA49, GLN53, HIS108 and 8 more
  • 4RUR · Yeast 20S proteasome in complex with the alkaloid indolo-phakellin (4) · 3WE L301 · binds ALA20, THR21, ALA27, SER28, VAL31, ALA49, GLN53, HIS108 and 8 more

Residues it binds most

ALA 4, SER 4, GLU 4, ARG 4, ASP 4, GLN 4, HIS 4, PHE 4, THR 4, TYR 4 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion

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