2026-09-05_00000253
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ligand
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9WNG
5HT2BR-fab heterotrimer in complex with a novel antagonist IHCH-2330;
Electron microscopy 2.98Å
Protein #1
236 residues (89% resolved)
Raw Sequence ...
MKKNIAFLLASMFVFSIATNAYADIVLIQSPAIMSASPGEKVTITCSASSSVSYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSSYPLTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSLPVTKSFNRGEC
Canonical Sequence ...
MKKNIAFLLASMFVFSIATNAYADIVLIQSPAIMSASPGEKVTITCSASSSVSYMHWFQQKPGTSPKLWIYSTSNLASGVPARFSGSGSGTSYSLTISRMEAEDAATYYCQQRSSYPLTFGAGTKLEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSLPVTKSFNRGEC
Protein #2
270 residues (82% resolved)
Raw Sequence ...
MKKNIAFLLASMFVFSIATNAYAEVQLQQSGPELVKPGASVKLSCKASGYTFTSSWMHWVKQRPGQGLEWIGNIYPSNGGTNYNERFKSKATLTVDRSSNTAYMQLSSLTSEDSAVYFCARFGSFITTILTTYYNPVDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCENLYFQSGSHHHHHHHH
Canonical Sequence ...
MKKNIAFLLASMFVFSIATNAYAEVQLQQSGPELVKPGASVKLSCKASGYTFTSSWMHWVKQRPGQGLEWIGNIYPSNGGTNYNERFKSKATLTVDRSSNTAYMQLSSLTSEDSAVYFCARFGSFITTILTTYYNPVDYWGQGTTLTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPKSCENLYFQSGSHHHHHHHH
Protein #3
307 residues (82% resolved)
Raw Sequence ...
GPGSGSGTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKRLLSGSRQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRY
Canonical Sequence ...
GPGSGSGTESIPEEMKQIVEEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETDVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKRLLSGSRQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRY
Non polymer #4
A1EXY
InChI=1S/C23H26F3N3O3/c1-15-17(22(30)29-10-6-5-7-21(29)27-15)9-12-28(2)11-8-16-13-20(32-4)18(23(24,25)26)14-19(16)31-3/h5-7,10,13-14H,8-9,11-12H2,1-4H3
InChI=1S/C23H26F3N3O3/c1-15-17(22(30)29-10-6-5-7-21(29)27-15)9-12-28(2)11-8-16-13-20(32-4)18(23(24,25)26)14-19(16)31-3/h5-7,10,13-14H,8-9,11-12H2,1-4H3
SMILES: CC1=C(C(=O)N2C=CC=CC2=N1)CCN(C)CCc3cc(c(cc3OC)C(F)(F)F)OC
CC1=C(C(=O)N2C=CC=CC2=N1)CCN(C)CCc3cc(c(cc3OC)C(F)(F)F)OC
Non polymer #5
NAG
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1
SMILES: CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
Biounit #1
hetero-1-1-1-mer
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Model
Reference
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