2026-08-15_00000110
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ligand
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9Q3L
CryoEM structure of beta2-adrenergic receptor dimer mediated by a biased allosteric modulator in lipid nanodisc;
Electron microscopy 2.50Å
Protein #1
460 residues (62% resolved)
Raw Sequence ...
MKTIIALSYIFCLVFADYKDDDDAMGQPGNGSAFLLAPNRSHAPDHDVENLYFQGTQQRDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGLEVLFQGPYHVEQEKENKLLAEDLPGTEDFVGHQGTVPSDNIDSQGRNASTNDSLLETSQVAPA
Canonical Sequence ...
MKTIIALSYIFCLVFADYKDDDDAMGQPGNGSAFLLAPNRSHAPDHDVENLYFQGTQQRDEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVPFGAAHILTKTWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKNKARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSFYVPLVIMVFVYSRVFQEAKRQLQKIDKSEGRFHVQNLSQVEQDGRTGHGLRRSSKFCLKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLIYCRSPDFRIAFQELLCLRRSSLKAYGNGYSSNGNTGEQSGLEVLFQGPYHVEQEKENKLLAEDLPGTEDFVGHQGTVPSDNIDSQGRNASTNDSLLETSQVAPA
Non polymer #2
A1CNS
InChI=1S/C20H19BrF2N4/c21-12-6-9-18-15(10-12)19(24-13-4-2-1-3-5-13)27-20(26-18)25-14-7-8-16(22)17(23)11-14/h6-11,13H,1-5H2,(H2,24,25,26,27)
InChI=1S/C20H19BrF2N4/c21-12-6-9-18-15(10-12)19(24-13-4-2-1-3-5-13)27-20(26-18)25-14-7-8-16(22)17(23)11-14/h6-11,13H,1-5H2,(H2,24,25,26,27)
SMILES: c1cc(c(cc1Nc2nc3ccc(cc3c(n2)NC4CCCCC4)Br)F)F
c1cc(c(cc1Nc2nc3ccc(cc3c(n2)NC4CCCCC4)Br)F)F
Non polymer #3
C14
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
InChI=1S/C14H30/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-14H2,1-2H3
SMILES: CCCCCCCCCCCCCC
CCCCCCCCCCCCCC
Non polymer #4
LFA
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
InChI=1S/C20H42/c1-3-5-7-9-11-13-15-17-19-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3
SMILES: CCCCCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCCCC
Non polymer #5
P0G
InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1
InChI=1S/C21H26N2O4/c1-13-6-4-5-7-14(13)10-21(2,3)22-11-17(25)15-8-9-16(24)19-20(15)27-12-18(26)23-19/h4-9,17,22,24-25H,10-12H2,1-3H3,(H,23,26)/t17-/m0/s1
SMILES: Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O
Cc1ccccc1CC(C)(C)NC[C@@H](c2ccc(c3c2OCC(=O)N3)O)O
Biounit #1
homo-dimer
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Model
Reference
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