2025-03-22_00000235
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ligand
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9EWA
The sTeLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with 4-Bromophenethylamine;
X-ray diffraction 3.01Å
Protein #1
320 residues (98% resolved)
Raw Sequence ...
MASLAAEPSDVFIGLKIDQITGINQKEENFSVVGSLRIDWRQPLLAFEHAPGEPKHRTYTLATFLKLLEEKQIRWPAFTYHNQQGRMDFQNRLISLSEDGTVMYLERFTSTFQAPAFDFRLFPFDNQLFFIHVDSIFPQHLFRFQEMQGFSGLGDQLGEEEWIVTEVNTHLTTHNEFTKGDASRFVLEFHAERHLNYYLMRILIPVLLIITVSWFTFFLQDYTKRIDLAGGNLLLFIAFNFTISSDLPRLGYITLMDAFLVGTFIITALVVLGNVWLRRLENHGKQALARKLDIYAITSYPLAYLLGALTLWLLFFWRSY
Canonical Sequence ...
MASLAAEPSDVFIGLKIDQITGINQKEENFSVVGSLRIDWRQPLLAFEHAPGEPKHRTYTLATFLKLLEEKQIRWPAFTYHNQQGRMDFQNRLISLSEDGTVMYLERFTSTFQAPAFDFRLFPFDNQLFFIHVDSIFPQHLFRFQEMQGFSGLGDQLGEEEWIVTEVNTHLTTHNEFTKGDASRFVLEFHAERHLNYYLMRILIPVLLIITVSWFTFFLQDYTKRIDLAGGNLLLFIAFNFTISSDLPRLGYITLMDAFLVGTFIITALVVLGNVWLRRLENHGKQALARKLDIYAITSYPLAYLLGALTLWLLFFWRSY
Non polymer #2
BNG
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
InChI=1S/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/m1/s1
SMILES: CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Non polymer #3
VMT
InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
InChI=1S/C8H10BrN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5-6,10H2
SMILES: c1cc(ccc1CCN)Br
c1cc(ccc1CCN)Br
Biounit #1
homo-pentamer
Download coordinates
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Model
Reference
100%