8THK: A61603-bound alpha-1A-adrenergic receptor

Cryo-EM structure of A61603-bound alpha-1A-adrenergic receptor in complex with heterotrimeric Gq-protein. Determined by electron microscopy at 2.6 Å resolution. Released 16 Aug 2023.

Method: Electron microscopy
Resolution: 2.6 Å
Organisms: Homo sapiens, Enterobacteria phage T4
Chains: 5
Atoms: 8,159
Mol. weight: 160.83 kDa
Ligands: CGZ
Released: 16 Aug 2023

Explore 8THK in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8THK contains 37 α-helices and 58 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: 10 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	7-30	24
β-strand	33-39	7	1
α-helix	46-48	3
β-strand	69-76	8	1
β-strand	79-86	8	1
α-helix	96-100	5
β-strand	105-111	7	1
α-helix	118-129	12
α-helix	132-134	3
β-strand	138-144	7	1
α-helix	146-155	10
α-helix	160-163	4
α-helix	165-169	5
α-helix	184-202	19
β-strand	214-215	2	1
α-helix	223-242	20

Chain B: 3 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	4-24	21
α-helix	30-33	4
α-helix	38-39	2
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	100-105	6	4
β-strand	111-116	6	4
β-strand	120-125	6	4
β-strand	134-140	7	4
β-strand	146-151	6	5
β-strand	157-161	5	5
β-strand	165-170	6	5
β-strand	175-181	7	5
β-strand	187-192	6	6
β-strand	198-203	6	6
β-strand	207-212	6	6
β-strand	218-223	6	6
β-strand	229-234	6	7
β-strand	240-245	6	7
β-strand	250-254	5	7
β-strand	259-264	6	7
β-strand	273-278	6	8
β-strand	284-289	6	8
β-strand	293-298	6	8
β-strand	303-309	7	8
β-strand	315-320	6	2
β-strand	327-331	5	2
β-strand	336-339	4	2

Chain F: 5 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	9
β-strand	10-12	3	10
β-strand	17-25	9	9
α-helix	29-31	3
β-strand	33-39	7	10
β-strand	45-51	7	10
β-strand	58-60	3	10
β-strand	65	1	9
β-strand	68-73	6	9
β-strand	78-84	7	9
α-helix	88-90	3
β-strand	92-99	8	10
β-strand	110-111	2	10
β-strand	115-119	5	10
α-helix	125-127	3
β-strand	128-129	2	11
β-strand	134-136	3	12
β-strand	143-149	7	11
β-strand	154	1	13
β-strand	160	1	13
β-strand	162-167	6	12
β-strand	174-178	5	12
β-strand	182-183	2	12
α-helix	184	1
β-strand	191-196	6	11
β-strand	199-204	6	11
β-strand	213-219	7	12
α-helix	225	1
β-strand	231-234	4	12

Chain G: 3 helices, 0 β-strands

Element	Residues	Length
α-helix	10-22	13
α-helix	30-43	14
α-helix	53-55	3

Chain R: 16 helices, 0 β-strands

Element	Residues	Length
α-helix	34-53	20
α-helix	60-74	15
α-helix	75-79	5
α-helix	80-89	10
α-helix	96-100	5
α-helix	102-129	28
α-helix	134-137	4
α-helix	143-158	16
α-helix	161-163	3
α-helix	167-170	4
α-helix	182-189	8
α-helix	190-194	5
α-helix	195-214	20
α-helix	269-297	29
α-helix	299-301	3
α-helix	305-325	21

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s)…	A	protein	246	Homo sapiens	P04899 (AlphaFold model), P50148 (AlphaFold model), P63092 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	B	protein	358	Homo sapiens	P62873 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	G	protein	71	Homo sapiens	P59768
Single fab chain (scFv16)	F	protein	267	Homo sapiens
Endolysin,Alpha-1A adrenergic receptor	R	protein	503	Enterobacteria phage T4, Homo sapiens	P00720, P35348

Sequence of entity 1 (A), FASTA

>8THK_1 Guanine nucleotide-binding protein G(i) subunit alpha-2,Guanine nucleotide-binding protein G(s) subunit alpha isoforms short,Guanine nucleotide-binding protein G(q) subunit alpha (chains A)
MGSTVSAEDKAAAERSKMIDKNLREDGEKARRTLRLLLLGADNSGKSTIVKQMRILHGGS
GGSGGTSGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDSSDYNRLQE
ALNDFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEP
GEDPRVTRAKYFIRKEFVDISTASGDGRHICYPHFTCAVDTENARRIFNDCKDIILQMNL
REYNLV

Sequence of entity 2 (B), FASTA

>8THK_2 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains B)
MHHHHHHLEVLFQGPGSSGSELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDPVGR
IQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSWVMT
CAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVTSSG
DTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCRQTF
TGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFSKSG
RLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIWN

Sequence of entity 3 (G), FASTA

>8THK_3 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains G)
MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENP
FREKKFFCAIL

Sequence of entity 4 (F), FASTA

>8THK_4 Single fab chain (scFv16) (chains F)
DVQLVESGGGLVQPGGSRKLSCSASGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYY
ADTVKGRFTISRDDPKNTLFLQMTSLRSEDTAMYYCVRSIYYYGSSPFDFWGQGTTLTVS
SGGGGSGGGGSGGGGSDIVMTQATSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQR
PGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFG
AGTKLELKAAALEVLFQGPHHHHHHHH

Sequence of entity 5 (R), FASTA

>8THK_5 Endolysin,Alpha-1A adrenergic receptor (chains R)
MKTIIALSYIFCLVFADYKDDDDKNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSP
SLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRA
ALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGT
WDAYAAATQPPAPVNISKAILLGVILGGLILFGVLGNILVILSVACHRHLHSVTHYYIVN
LAVADLLLTSTVLPFSAIFEVLGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIG
VSYPLRYPTIVTQRRGLMALLCVWALSLVISIGPLFGWRQPAPEDETICQINEEPGYVLF
SALGSFYLPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSHFSVRLLKFSREKKAAKTLG
IVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKK
AFQNVLRIQCLCRKQASLEVLFQ

Ligands and cofactors

ID	Name	Formula	Copies
CGZ	N-[(5S)-5-(4,5-dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydronaphthalen…	C14 H19 N3 O3 S	1

Primary citation

Structural basis of agonist specificity of alpha 1A -adrenergic receptor. Su, M., Wang, J., Xiang, G. et al. Nat Commun (2023) 14:4819-4819. DOI 10.1038/s41467-023-40524-2 · PubMed

Other PDB entries of the same protein (UniProt P04899 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8ZBW 2.58 Å, Cryo-EM structure of formyl peptide receptor 2/C1R receptor in complex with Gi
7YK7 2.75 Å, Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4…
9K6L 2.77 Å, Cryo-EM structure of GPCR16-Gi2 complex
9XDQ 2.79 Å, Cryo-EM structure of BMS986187 bound DOR-Gi complex
7WVX 2.8 Å, Cryo-EM structure of the human formyl peptide receptor 2 in complex with fhumanin and Gi2
8W8A 2.8 Å, Cryo-EM structure of the RO5256390-TAAR1 complex
8ZSJ 2.8 Å, Cryo-EM structure of the apo hTAAR1-Gs complex
7WVV 2.9 Å, Cryo-EM structure of the human formyl peptide receptor 2 in complex with fMLFII and Gi2
9DQJ 2.9 Å, CryoEM structure of Gq-coupled MRGPRD with a new agonist EP-3945
9KFI 2.91 Å, Cryo-EM structure of the human relaxin family peptide receptor 3 in complex with…
9KFK 2.95 Å, Cryo-EM structure of the relaxin-3-bound human relaxin family peptide receptor 4…
8ZSV 2.96 Å, Cryo-EM structure of the RO5263397-bound mTAAR1-Gs complex

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