8XOR: Tethered agonist-bound human PAR1-Gq complex

Cryo-EM structure of the tethered agonist-bound human PAR1-Gq complex. Determined by electron microscopy at 3.0 Å resolution. Released 18 Sept 2024.

Method: Electron microscopy
Resolution: 3.0 Å
Organisms: Rattus, Bos taurus, Homo sapiens
Chains: 5
Atoms: 8,979
Mol. weight: 184.14 kDa
Ligands: CLR
Released: 18 Sept 2024

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

Secondary structure: helices and β-sheets

8XOR contains 46 α-helices and 64 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: 11 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	7-23	17
α-helix	24-28	5
β-strand	34-40	7	8
α-helix	46-53	8
β-strand	184-191	8	8
β-strand	194-201	8	8
α-helix	211-217	7
β-strand	220-226	7	8
α-helix	230-244	15
α-helix	249-251	3
β-strand	253-259	7	8
α-helix	261-269	9
α-helix	275-277	3
α-helix	280-284	5
α-helix	301-317	17
β-strand	326-330	5	8
α-helix	338-357	20

Chain B: 5 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	4-25	22
α-helix	30-33	4
α-helix	34-36	3
α-helix	38-40	3
β-strand	47-52	6	1
β-strand	58-63	6	2
β-strand	69-74	6	2
β-strand	78-83	6	2
β-strand	89-94	6	2
β-strand	100-105	6	3
β-strand	111-116	6	3
β-strand	121-125	5	3
β-strand	134-139	6	3
β-strand	146-151	6	4
β-strand	156-161	6	4
β-strand	166-170	5	4
β-strand	175-180	6	4
β-strand	187-192	6	5
β-strand	198-203	6	5
β-strand	207-212	6	5
β-strand	218-222	5	5
β-strand	229-234	6	6
β-strand	240-245	6	6
β-strand	250-254	5	6
β-strand	259-264	6	6
α-helix	272	1
β-strand	273-278	6	7
β-strand	284-289	6	7
β-strand	294-298	5	7
β-strand	303-308	6	7
β-strand	315-320	6	1
β-strand	327-331	5	1
β-strand	335-339	5	1

Chain C: 3 helices, 0 β-strands

Element	Residues	Length
α-helix	12-23	12
α-helix	30-43	14
α-helix	53-55	3

Chain E: 6 helices, 25 β-strands

Element	Residues	Length	Sheet
β-strand	3-6	4	9
β-strand	11-12	2	10
β-strand	17-25	9	9
α-helix	29-31	3
β-strand	33-39	7	11
β-strand	45-51	7	11
α-helix	53-55	3
β-strand	58-60	3	11
β-strand	68-73	6	9
α-helix	74-76	3
β-strand	78-84	7	9
α-helix	88-90	3
β-strand	92-99	8	11
β-strand	110-117	8	11
β-strand	118-119	2	10
α-helix	136-138	3
β-strand	140-142	3	12
β-strand	147-148	2	13
β-strand	155-161	7	12
β-strand	166	1	14
β-strand	172	1	14
β-strand	174-179	6	15
β-strand	185-190	6	15
β-strand	194-195	2	15
α-helix	196	1
β-strand	203-207	5	12
β-strand	211-216	6	12
β-strand	226-231	6	15
β-strand	239	1	15
β-strand	243-244	2	15
β-strand	245-246	2	13

Chain R: 21 helices, 5 β-strands

Element	Residues	Length	Sheet
β-strand	43-46	4	16
β-strand	87-88	2	16
α-helix	90-97	8
α-helix	99	1
α-helix	100-104	5
α-helix	105-125	21
α-helix	126-130	5
α-helix	136-163	28
α-helix	171-205	35
α-helix	207-213	7
α-helix	216-239	24
β-strand	243-245	3	17
α-helix	246	1
β-strand	252-254	3	17
β-strand	257-259	3	16
α-helix	260-262	3
α-helix	263-267	5
α-helix	268-275	8
α-helix	276-280	5
α-helix	281-298	18
α-helix	300-305	6
α-helix	309-338	30
α-helix	343-360	18
α-helix	363-368	6
α-helix	369-373	5
α-helix	376-379	4

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	B	protein	379	Rattus	P54311 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2	C	protein	67	Bos taurus	P63212 (AlphaFold model)
G subunit q (Gi1-Gq chimeric)	A	protein	361	Homo sapiens	P63096 (AlphaFold model)
scFv16	E	protein	303	Mus musculus
Proteinase-activated receptor 1 LgBiT	R	protein	532	Homo sapiens	P25116 (AlphaFold model)

Sequence of entity 1 (B), FASTA

>8XOR_1 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains B)
MVSGWRLFKKISGSSGGGGSGGGGSSGGSLLQSELDQLRQEAEQLKNQIRDARKACADAT
LSQITNNIDPVGRIQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNK
VHAIPLRSSWVMTCAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCC
RFLDDNQIVTSSGDTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAK
LWDVREGMCRQTFTGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNI
ICGITSVSFSKSGRLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVAT
GSWDSFLKIWNHHHHHHHH

Sequence of entity 2 (C), FASTA

>8XOR_2 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains C)
ASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENPF
REKKFFC

Sequence of entity 3 (A), FASTA

>8XOR_3 G subunit q (Gi1-Gq chimeric) (chains A)
MGCTLSAEDKAAVERSKMIEKQLQKDKQVYRRTLRLLLLGADNSGKSTIVKQMRIYHVNG
YSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARADDARQLFVLAGAAEEGFMT
AELAGVIKRLWKDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRVK
TSGIFETKFQVDKVNFHMFDVGAQRDERRKWIQCFNDVTAIIFVVDSSDYNRLQEALNDF
KSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEPGEDPR
VTRAKYFIRKEFVDISTASGDGRHICYPHFTCAVDTENARRIFNDCKDIILQMNLREYNL
V

Sequence of entity 4 (E), FASTA

>8XOR_4 scFv16 (chains E)
LLVNQSHQGFNKEHTSKMVSAIVLYVLLAAAAHSAFAVQLVESGGGLVQPGGSRKLSCSA
SGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYYADTVKGRFTISRDDPKNTLFLQMT
SLRSEDTAMYYCVRSIYYYGSSPFDFWGQGTTLTVSAGGGGSGGGGSGGGGSADIVMTQA
TSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQRPGQSPQLLIYRMSNLASGVPDRF
SGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFGAGTKLELVDENLYFQGASHHHHH
HHH

Sequence of entity 5 (R), FASTA

>8XOR_5 Proteinase-activated receptor 1 LgBiT (chains R)
SFLLRNPNDKYEPFWEDEEKNESGLTEYRLVSINKSSPLQKQLPAFISEDASGYLTSSWL
TLFVPSVYTGVFVVSLPLNIMAIVVFILKMKVKKPAVVYMLHLATADVLFVSVLPFKISY
YFSGSDWQFGSELCRFVTAAFYCNMYASILLMTVISIDRFLAVVYPMQSLSWRTLGRASF
TCLAIWALAIAGVVPLLLKEQTIQVPGLNITTCHDVLNETLLEGYYAYYFSAFSAVFFFV
PLIISTVCYVSIIRCLSSSAVANRSKKSRALFLSAAVFCIFIICFGPTNVLLIAHYSFLS
HTSTTEAAYFAYLLCVCVSSISCCIDPLIYYYASSECQRYVYSILCCKESSDPSSYGSSG
GGGSGGGGSSGVFTLEDFVGDWEQTAAYNLDQVLEQGGVSSLLQNLAVSVTPIQRIVRSG
ENALKIDIHVIIPYEGLSADQMAQIEEVFKVVYPVDDHHFKVILPYGTLVIDGVTPNMLN
YFGRPYEGIAVFDGKKITVTGTLWNGNKIIDERLITPDGSMLFRVTINSGGS

Ligands and cofactors

ID	Name	Formula	Copies
CLR	Cholesterol	C27 H46 O	6

Primary citation

Structural basis of tethered agonism and G protein coupling of protease-activated receptors. Guo, J., Zhou, Y.L., Yang, Y. et al. Cell Res (2024) 34:725-734. DOI 10.1038/s41422-024-00997-2 · PubMed

Other PDB entries of the same protein (UniProt P54311 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7MBX 1.95 Å, Human Cholecystokinin 1 receptor (CCK1R) Gs complex
9EJZ 2.06 Å, Human M5 muscarinic acetylcholine receptor complex with mini-Gq, agonist acetylcholine…
9IJE 2.34 Å, Epinephrine-activated human beta3 adrenergic receptor
8YK0 2.4 Å, Cryo-EM structure of human GPR156-Gi3 complex
8Z9O 2.4 Å, Cryo-EM structure of human GPR4-Gs complex
22ES 2.43 Å, Gi bound kappa-opioid receptor in complex with difelikefalin
7MBY 2.44 Å, Human Cholecystokinin 1 receptor (CCK1R) Gq chimera (mGsqi) complex
9WG6 2.44 Å, D1R-Gs in complexed with Dopamine/LY3154207/BMSA1/UNC9815
8JIS 2.46 Å, Cryo-EM structure of the GLP-1R/GCGR dual agonist peptide15-bound human GLP-1R-Gs complex
9M0R 2.47 Å, Structure of neuropeptide FF receptor 1 complex with NPVF
8YKV 2.48 Å, Cryo-EM structure of succinate receptor SUCR1 bound to compound 31
9M1O 2.49 Å, Cryo-EM structures of NPFFR2 complex with neuropeptide FF

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