2025-03-22_00000236
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ligand
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9EWL
The sTeLIC pentameric Ligand-Gated Ion Channel (wild-type) in complex with 4-bromoamphetamine;
X-ray diffraction 3.20Å
Protein #1
320 residues (97% resolved)
Raw Sequence ...
MASLAAEPSDVFIGLKIDQITGINQKEENFSVVGSLRIDWRQPLLAFEHAPGEPKHRTYTLATFLKLLEEKQIRWPAFTYHNQQGRMDFQNRLISLSEDGTVMYLERFTSTFQAPAFDFRLFPFDNQLFFIHVDSIFPQHLFRFQEMQGFSGLGDQLGEEEWIVTEVNTHLTTHNEFTKGDASRFVLEFHAERHLNYYLMRILIPVLLIITVSWFTFFLQDYTKRIDLAGGNLLLFIAFNFTISSDLPRLGYITLMDAFLVGTFIITALVVLGNVWLRRLENHGKQALARKLDIYAITSYPLAYLLGALTLWLLFFWRSY
Canonical Sequence ...
MASLAAEPSDVFIGLKIDQITGINQKEENFSVVGSLRIDWRQPLLAFEHAPGEPKHRTYTLATFLKLLEEKQIRWPAFTYHNQQGRMDFQNRLISLSEDGTVMYLERFTSTFQAPAFDFRLFPFDNQLFFIHVDSIFPQHLFRFQEMQGFSGLGDQLGEEEWIVTEVNTHLTTHNEFTKGDASRFVLEFHAERHLNYYLMRILIPVLLIITVSWFTFFLQDYTKRIDLAGGNLLLFIAFNFTISSDLPRLGYITLMDAFLVGTFIITALVVLGNVWLRRLENHGKQALARKLDIYAITSYPLAYLLGALTLWLLFFWRSY
Non polymer #2
A1H7R
InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChI=1S/C9H12BrN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
SMILES: C[C@@H](Cc1ccc(cc1)Br)N
C[C@@H](Cc1ccc(cc1)Br)N
Non polymer #3
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
Biounit #1
homo-pentamer
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Model
Reference
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