8HJ5: Gq-coupled MRGPRX1

Cryo-EM structure of Gq-coupled MRGPRX1 bound with Compound-16. Determined by electron microscopy at 3.0 Å resolution. Released 31 May 2023.

Method: Electron microscopy
Resolution: 3.0 Å
Organisms: Homo sapiens, Mus musculus, Escherichia coli
Chains: 6
Atoms: 9,678
Mol. weight: 208.46 kDa
Ligands: U2U
Released: 31 May 2023

Explore 8HJ5 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8HJ5 contains 28 α-helices and 71 β-strands across 6 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: 8 helices, 6 β-strands

Element	Residues	Length	Sheet
α-helix	10-33	24
β-strand	35-39	5	1
α-helix	47-53	7
β-strand	185-192	8	1
β-strand	195-202	8	1
β-strand	221-227	7	1
α-helix	234-245	12
β-strand	254-260	7	1
α-helix	262-270	9
α-helix	276-278	3
α-helix	281-285	5
α-helix	300-319	20
β-strand	331	1	1
α-helix	340-358	19

Chain B: 3 helices, 28 β-strands

Element	Residues	Length	Sheet
α-helix	28-45	18
α-helix	51-54	4
β-strand	70-72	3	2
β-strand	79-84	6	3
β-strand	90-95	6	3
β-strand	99-104	6	3
β-strand	109-115	7	3
β-strand	121-126	6	4
β-strand	132-137	6	4
β-strand	141-146	6	4
α-helix	150-152	3
β-strand	155-161	7	4
β-strand	167-174	8	5
β-strand	177-182	6	5
β-strand	186-189	4	5
β-strand	199-202	4	5
β-strand	208-213	6	6
β-strand	220-224	5	6
β-strand	228-232	5	6
β-strand	239-243	5	6
β-strand	250-255	6	7
β-strand	261-266	6	7
β-strand	271-275	5	7
β-strand	281-285	5	7
β-strand	294-299	6	8
β-strand	305-310	6	8
β-strand	316-319	4	8
β-strand	325	1	8
β-strand	336-341	6	2
β-strand	348-352	5	2
β-strand	357-360	4	2

Chain C: 3 helices, 25 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	11
β-strand	45-51	7	11
β-strand	58-60	3	11
β-strand	68-73	6	9
β-strand	78-84	7	9
β-strand	92-94	3	10
β-strand	95-99	5	11
β-strand	111	1	11
β-strand	113	1	9
β-strand	115-119	5	10
β-strand	142	1	12
β-strand	147-149	3	13
β-strand	156-161	6	12
β-strand	167	1	14
β-strand	173	1	14
β-strand	175-180	6	13
β-strand	187-191	5	13
β-strand	195-196	2	13
α-helix	197	1
β-strand	204-209	6	12
β-strand	212-217	6	12
β-strand	226-232	7	13
α-helix	238	1
β-strand	244-247	4	13

Chain D: 3 helices, 0 β-strands

Element	Residues	Length
α-helix	14-23	10
α-helix	30-43	14
α-helix	53-55	3

Chain E: 1 helix, 12 β-strands

Element	Residues	Length	Sheet
β-strand	3-5	3	15
β-strand	11-12	2	16
β-strand	17-20	4	15
β-strand	23-25	3	15
α-helix	29-31	3
β-strand	35-39	5	17
β-strand	45-51	7	17
β-strand	58-60	3	17
β-strand	69-73	5	15
β-strand	78-84	7	15
β-strand	92-95	4	17
β-strand	122-124	3	17
β-strand	125-126	2	16

Chain F: 10 helices, 0 β-strands

Element	Residues	Length
α-helix	29-51	23
α-helix	60-87	28
α-helix	92-125	34
α-helix	127-131	5
α-helix	138-159	22
α-helix	172-204	33
α-helix	212-239	28
α-helix	252-269	18
α-helix	270-274	5
α-helix	275-276	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Guanine nucleotide-binding protein G(q) subunit alpha	A	protein	362	Homo sapiens
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	B	protein	384	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)
scFv16	C	protein	259	Mus musculus
Soluble cytochrome b562,Mas-related G-protein coupled receptor member X1,LgBit	F	protein	637	Escherichia coli, Homo sapiens	P0ABE7 (AlphaFold model), Q96LB2 (AlphaFold model)
Nb35	E	protein	157	Vicugna pacos

Sequence of entity 1 (A), FASTA

>8HJ5_1 Guanine nucleotide-binding protein G(q) subunit alpha (chains A)
MMGCTLSAEDKAAVERSKMIEKQLQKDKQVYRRTLRLLLLGADNSGKSTIVKQMRIYHVN
GYSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARADDARQLFVLAGAAEEGFM
TAELAGVIKRLWKDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRV
KTSGIFETKFQVDKVNFHMFDVGAQRDERRKWIQCFNDVTAIIFVVDSSDYNRLQEALND
FKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIEDYFPEFARYTTPEDATPEPGEDP
RVTRAKYFIRKEFVDISTASGDGRHICYPHFTCSVDTENARRIFNDCKDIILQMNLREYN
LV

Sequence of entity 2 (B), FASTA

>8HJ5_2 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains B)
HHHHHHHHHHLEVLFQGPGSSGSELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDP
VGRIQMRTRRTLRGHLAKIYAMHWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSW
VMTCAYAPSGNYVACGGLDNICSIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVT
SSGDTTCALWDIETGQQTTTFTGHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCR
QTFTGHESDINAICFFPNGNAFATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFS
KSGRLLLAGYDDFNCNVWDALKADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIW
NGASGASGASGASVSGWRLFKKIS

Sequence of entity 3 (D), FASTA

>8HJ5_3 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains D)
MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENP
FREKKFFCAIL

Sequence of entity 4 (C), FASTA

>8HJ5_4 scFv16 (chains C)
DVQLVESGGGLVQPGGSRKLSCSASGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYY
ADTVKGRFTISRDDPKNTLFLQMTSLRSEDTAMYYCVRSIYYYGSSPFDFWGQGTTLTVS
SGGGGSGGGGSGGGGSDIVMTQATSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQR
PGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFG
AGTKLELKAAAHHHHHHHH

Sequence of entity 5 (F), FASTA

>8HJ5_5 Soluble cytochrome b562,Mas-related G-protein coupled receptor member X1,LgBit (chains F)
MKTIIALSYIFCLVFADYKDDDDKLEVLFQGPGSADLEDNWETLNDNLKVIEKADNAAQV
KDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKE
AQAAAEQLKTTRNAYIQKYLMDPTISTLDTELTPINGTEETLCYKQTLSLTVLTCIVSLV
GLTGNAVVLWLLGCRMRRNAFSIYILNLAAADFLFLSGRLIYSLLSFISIPHTISKILYP
VMMFSYFAGLSFLSAVSTERCLSVLWPIWYRCHRPTHLSAVVCVLLWALSLLRSILEWML
CGFLFSGADSAWCQTSDFITVAWLIFLCVVLCGSSLVLLIRILCGSRKIPLTRLYVTILL
TVLVFLLCGLPFGIQFFLFLWIHVDREVLFCHVHLVSIFLSALNSSANPIIYFFVGSFRQ
RQNRQNLKLVLQRALQDASEVDEGGGQLPEEILELSGSRLEQGSAGSVFTLEDFVGDWEQ
TAAYNLDQVLEQGGVSSLLQNLAVSVTPIQRIVRSGENALKIDIHVIIPYEGLSADQMAQ
IEEVFKVVYPVDDHHFKVILPYGTLVIDGVTPNMLNYFGRPYEGIAVFDGKKITVTGTLW
NGNKIIDERLITPDGSMLFRVTINSLEHHHHHHHHHH

Sequence of entity 6 (E), FASTA

>8HJ5_6 Nb35 (chains E)
MKYLLPTAAAGLLLLAAQPAMAMQVQLQESGGGLVQPGGSLRLSCAASGFTFSNYKMNWV
RQAPGKGLEWVSDISQSGASISYTGSVKGRFTISRDNAKNTLYLQMNSLKPEDTAVYYCA
RCPAPFTRDCFDVTSTTYAYRGQGTQVTVSSHHHHHH

Ligands and cofactors

ID	Name	Formula	Copies
U2U	N-{2-[(1-aminoisoquinolin-6-yl)oxy]-4-methylphenyl}-2-methoxybenzene-1-sulfonam…	C23 H21 N3 O4 S	1

Primary citation

Mechanism of agonist-induced activation of the human itch receptor MRGPRX1. Gan, B., Yu, L., Yang, H. et al. PLoS Biol (2023) 21:e3001975-e3001975. DOI 10.1371/journal.pbio.3001975 · PubMed

Other PDB entries of the same protein (UniProt P62873 (AlphaFold model), which also has an AlphaFold model), best resolution first:

8QEH 1.43 Å, Crystal structure of the G11 protein heterotrimer bound to FR900359 inhibitor
8QEG 1.7 Å, Crystal structure of the G11 protein heterotrimer bound to YM-254890 inhibitor
8F0K 1.9 Å, Human Amylin3 Receptor in complex with Gs and Pramlintide analogue peptide San385
9YDQ 1.94 Å, Human delta opioid receptor complex with mini-Gi and agonist DADLE and allosteric…
9YDP 1.95 Å, Human delta opioid receptor complex with mini-Gi and agonist DADLE
6CRK 2.0 Å, Heterotrimeric G-protein in complex with an antibody fragment
8F0J 2.0 Å, Calcitonin Receptor in complex with Gs and Pramlintide analogue peptide San45
8F2B 2.0 Å, Amylin 3 Receptor in complex with Gs and Pramlintide analogue peptide San45
9XXT 2.0 Å, Cryo-EM structure of lysophosphatidylserine (18:0)-bound GPR174-Gs complex
6X18 2.1 Å, GLP-1 peptide hormone bound to Glucagon-Like peptide-1 (GLP-1) Receptor
6X19 2.1 Å, Non peptide agonist CHU-128, bound to Glucagon-Like peptide-1 (GLP-1) Receptor
9NTU 2.1 Å, Cryo-EM structure of BETP-GLP-1(9-36)-GLP-1R-Gs complex

Browse structure collections

About this viewer

MolViewer shows 8HJ5 directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.