9AS4: Global reconstruction of 5-HT2AR

Global reconstruction of 5-HT2AR bound to LSD in complex with a mini-Gq protein and scFv16 obtained by cryo-electron microscopy (cryoEM). Determined by electron microscopy at 3.06 Å resolution. Released 2 Apr 2025.

Method: Electron microscopy
Resolution: 3.06 Å
Organism: Homo sapiens
Chains: 5
Atoms: 8,169
Mol. weight: 157.01 kDa
Ligands: 7LD
Released: 2 Apr 2025

Explore 9AS4 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9AS4 contains 31 α-helices and 62 β-strands across 5 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 14 helices, 0 β-strands

Element	Residues	Length
α-helix	85-98	14
α-helix	110-121	12
α-helix	123-127	5
α-helix	128-136	9
α-helix	148-178	31
α-helix	180-185	6
α-helix	191-206	16
α-helix	209-212	4
α-helix	234-238	5
α-helix	240-244	5
α-helix	245-260	16
α-helix	316-346	31
α-helix	355-381	27
α-helix	385-392	8

Chain B: 8 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	7-32	26
β-strand	34-39	6	1
α-helix	46-48	3
β-strand	70-76	7	1
β-strand	79-85	7	1
β-strand	105-111	7	1
α-helix	116-129	14
β-strand	138-144	7	1
α-helix	146-155	10
α-helix	160-163	4
α-helix	165-168	4
α-helix	184-202	19
β-strand	211-216	6	1
α-helix	224-242	19

Chain C: 3 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	11-25	15
α-helix	30-34	5
β-strand	47-51	5	2
β-strand	58-63	6	3
β-strand	69-74	6	3
β-strand	78-83	6	3
β-strand	88-94	7	3
β-strand	102-105	4	4
β-strand	111-115	5	4
β-strand	121-125	5	4
β-strand	134-139	6	4
β-strand	146-151	6	5
β-strand	156-161	6	5
β-strand	166-170	5	5
β-strand	175-180	6	5
β-strand	187-192	6	6
β-strand	198-203	6	6
β-strand	208-212	5	6
β-strand	217-222	6	6
β-strand	229-234	6	7
β-strand	240-245	6	7
β-strand	250-254	5	7
β-strand	260-264	5	7
α-helix	272	1
β-strand	273-278	6	8
β-strand	284-289	6	8
β-strand	294-298	5	8
β-strand	303-308	6	8
β-strand	315-320	6	2
β-strand	327-331	5	2
β-strand	336-339	4	2

Chain D: 3 helices, 0 β-strands

Element	Residues	Length
α-helix	13-23	11
α-helix	30-43	14
α-helix	53-55	3

Chain E: 3 helices, 28 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	9
β-strand	10-11	2	10
β-strand	18-25	8	9
β-strand	33-34	2	11
β-strand	38-39	2	10
β-strand	45-46	2	10
β-strand	49-51	3	11
α-helix	53-55	3
β-strand	58-60	3	11
β-strand	68-73	6	9
β-strand	78-83	6	9
α-helix	88-90	3
β-strand	92-94	3	10
β-strand	97-99	3	11
β-strand	110-111	2	11
β-strand	115-118	4	10
β-strand	129	1	12
β-strand	134-136	3	13
β-strand	143-148	6	12
β-strand	154	1	14
β-strand	160	1	14
β-strand	162-167	6	15
β-strand	174-178	5	15
β-strand	182-183	2	15
β-strand	191-196	6	12
β-strand	199-204	6	12
β-strand	214-219	6	15
α-helix	225	1
β-strand	227	1	15
β-strand	231	1	15
β-strand	232-234	3	13

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
5-hydroxytryptamine receptor 2A	A	protein	471	Homo sapiens	P28223 (AlphaFold model)
G subunit q (Gi2-mini-Gq chimeric)	B	protein	246	Homo sapiens
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	C	protein	358	Homo sapiens	P62873 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	D	protein	71	Homo sapiens	P59768 (AlphaFold model)
single chain Fab (svFv16)	E	protein	267	Homo sapiens

Sequence of entity 1 (A), FASTA

>9AS4_1 5-hydroxytryptamine receptor 2A (chains A)
MDILCEENTSLSSTTNSLMQLNDDTRLYSNDFNSGEANTSDAFNWTVDSENRTNLSCEGC
LSPSCLSLLHLQEKNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIAD
MLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTASIMHLCAISLDRYVAIQNP
IHHSRFNSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSF
VSFFIPLTIMVITYFLTIKSLQKEATLCVSDLGTRAKLASFSFLPQSSLSSEKLFQRSIH
REPGSYTGRRTMQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGA
LLNVFVWIGYLSSAVNPLVYTLFNKTYRSAFSRYIQCQYKENKKPLQLILVNTIPALAYK
SSQLQMGQKKNSKQDAKTTDNDCSMVALGKQHSEEASKDNSDGVNEKVSCV

Sequence of entity 2 (B), FASTA

>9AS4_2 G subunit q (Gi2-mini-Gq chimeric) (chains B)
MGSTVSAEDKAAAERSKMIDKNLREDGEKARRTLRLLLLGADNSGKSTIVKQMRILHGGS
GGSGGTSGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDSSDYNRLQE
ALNDFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEP
GEDPRVTRAKYFIRKEFVDISTASGDGRHICYPHFTCAVDTENARRIFNDCKDIILQMNL
REYNLV

Sequence of entity 3 (C), FASTA

>9AS4_3 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains C)
MHHHHHHLEVLFQGPGSSGSELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDPVGR
IQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSWVMT
CAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVTSSG
DTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCRQTF
TGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFSKSG
RLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIWN

Sequence of entity 4 (D), FASTA

>9AS4_4 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains D)
MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENP
FREKKFFCAIL

Sequence of entity 5 (E), FASTA

>9AS4_5 single chain Fab (svFv16) (chains E)
DVQLVESGGGLVQPGGSRKLSCSASGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYY
ADTVKGRFTISRDDPKNTLFLQMTSLRSEDTAMYYCVRSIYYYGSSPFDFWGQGTTLTVS
SGGGGSGGGGSGGGGSDIVMTQATSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQR
PGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFG
AGTKLELKAAALEVLFQGPHHHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
7LD	(8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide	C20 H25 N3 O	1

Primary citation

The structural diversity of psychedelic drug actions revealed. Gumpper, R.H., Jain, M.K., Kim, K. et al. Nat Commun (2025) 16:2734-2734. DOI 10.1038/s41467-025-57956-7 · PubMed

Other PDB entries of the same protein (UniProt P28223 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7WC8 2.45 Å, Crystal structure of serotonin 2A receptor in complex with lumateperone
7WC9 2.5 Å, Crystal structure of serotonin 2A receptor in complex with non-hallucinogenic…
9AS8 2.54 Å, Global reconstruction of 5-HT2AR bound to psilocin in complex with a mini-Gq protein and…
7WC6 2.6 Å, Crystal structure of serotonin 2A receptor in complex with LSD
7WC7 2.6 Å, Crystal structure of serotonin 2A receptor in complex with lisuride
9LL8 2.62 Å, Psilocin-bound Serotonin 2A (5-HT2A) receptor-Gi complex
8JT8 2.7 Å, Crystal structure of 5-HT2AR in complex with (R)-IHCH-7179
9AS7 2.72 Å, Local refinement of 5-HT2AR bound to psilocin in complex with a mini-Gq and scFv16…
9LL9 2.76 Å, DOI-bound Serotonin 2A (5-HT2A) receptor-Gq complex
8UWL 2.8 Å, 5-HT2AR bound to Lisuride in complex with a mini-Gq protein and an active-state…
9J87 2.84 Å, Structure of Receptor
9LL7 2.84 Å, DOI-bound Serotonin 2A (5-HT2A) receptor-Gi complex

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