8E9X: MiniGo-coupled hM4Di

CryoEM structure of miniGo-coupled hM4Di in complex with DCZ. Determined by electron microscopy at 2.7 Å resolution. Released 30 Nov 2022.

Method: Electron microscopy
Resolution: 2.7 Å
Organisms: Homo sapiens, Mus musculus
Chains: 5
Atoms: 8,380
Mol. weight: 136.5 kDa
Ligands: WEC
Released: 30 Nov 2022

Explore 8E9X in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

8E9X contains 37 α-helices and 63 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: 17 helices, 0 β-strands

Element	Residues	Length
α-helix	29-59	31
α-helix	66-80	15
α-helix	81-85	5
α-helix	86-95	10
α-helix	103-135	33
α-helix	140-143	4
α-helix	146-169	24
α-helix	172-174	3
α-helix	188-191	4
α-helix	193-200	8
α-helix	201-205	5
α-helix	206-220	15
α-helix	393-411	19
α-helix	414-425	12
α-helix	432-452	21
α-helix	454-456	3
α-helix	458-464	7

Chain B: 8 helices, 7 β-strands

Element	Residues	Length	Sheet
α-helix	4-28	25
β-strand	31-37	7	1
α-helix	43-45	3
β-strand	51-52	2	1
β-strand	67-72	6	1
β-strand	77-82	6	1
α-helix	90-92	3
α-helix	94-97	4
β-strand	102-108	7	1
α-helix	112-126	15
β-strand	135-141	7	1
α-helix	143-152	10
α-helix	168-181	14
β-strand	191-194	4	1
α-helix	203-222	20

Chain C: 2 helices, 30 β-strands

Element	Residues	Length	Sheet
α-helix	4-24	21
α-helix	30-33	4
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	121-125	5	4
β-strand	134-139	6	4
β-strand	146-151	6	5
β-strand	156-161	6	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	208-212	5	6
β-strand	218-222	5	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	294-298	5	8
β-strand	304-308	5	8
β-strand	315	1	9
β-strand	319-320	2	2
β-strand	327-330	4	2
β-strand	331	1	9
β-strand	336-339	4	2

Chain D: 5 helices, 0 β-strands

Element	Residues	Length
α-helix	13-22	10
α-helix	30-43	14
α-helix	45-47	3
α-helix	53-55	3
α-helix	56-58	3

Chain E: 5 helices, 26 β-strands

Element	Residues	Length	Sheet
β-strand	3-7	5	10
β-strand	11-12	2	11
β-strand	18-25	8	10
β-strand	33-39	7	12
β-strand	45-51	7	12
β-strand	58-60	3	12
β-strand	68-73	6	10
α-helix	74-76	3
β-strand	78-83	6	10
α-helix	88-90	3
β-strand	93-94	2	13
β-strand	95-99	5	12
β-strand	110-111	2	12
β-strand	115-116	2	13
β-strand	118-119	2	11
α-helix	125-127	3
β-strand	128-129	2	14
β-strand	134-136	3	15
β-strand	143-147	5	16
β-strand	148-149	2	14
β-strand	154	1	17
β-strand	160	1	17
β-strand	162-167	6	15
β-strand	174-178	5	15
β-strand	182-183	2	15
α-helix	184	1
β-strand	191-196	6	16
β-strand	199-204	6	16
β-strand	214-219	6	15
α-helix	225	1
β-strand	231-234	4	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Muscarinic acetylcholine receptor M4	A	protein	348	Homo sapiens	P08173 (AlphaFold model)
miniGo	B	protein	225	Homo sapiens	P09471 (AlphaFold model)
Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1	C	protein	339	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	E	protein	251	Mus musculus

Sequence of entity 1 (A), FASTA

>8E9X_1 Muscarinic acetylcholine receptor M4 (chains A)
MANFTPVNGSSGNQSVRLVTSSSHNRYETVEMVFIATVTGSLSLVTVVGNILVMLSIKVN
RQLQTVNNYFLFSLACADLIIGAFSMNLYTVYIIKGYWPLGAVVCDLWLALDCVVSNASV
MNLLIISFDRYFCVTKPLTYPARRTTKMAGLMIAAAWVLSFVLWAPAILFWQFVVGKRTV
PDNQCFIQFLSNPAVTFGTAIAGFYLPVVIMTVLYIHISLASRSRVHKHRPEGPKEKKAK
TLARKFASIARNQVRKKRQMAARERKVTRTIFAILLAFILTWTPYNVMVLVNTFCQSCIP
DTVWSIGYWLCYVNSTINPACYALCNATFKKTFRHLLLCQYRNIGTAR

Sequence of entity 2 (B), FASTA

>8E9X_2 miniGo (chains B)
TLSAEDKAAVERSKMIEKNLKEDGISAAKDVKLLLLGADNSGKSTIVKQMKIIHGGSGGS
GGTTGIVETHFTFKNLHFRLFDVGGQRSERKKWIHCFEDVTAIIFCVDLSDYNRMHESLM
LFDSICNNKFFIDTSIILFLNKKDLFGEKIKKSPLTICFPEYTGPNTYEDAAAYIQAQFE
SKNRSPNKEIYCHMTCATDTNNAQVIFDAVTDIIIANNLRGCGLY

Sequence of entity 3 (C), FASTA

>8E9X_3 Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1 (chains C)
SELDQLRQEAEQLKNQIRDARKACADATLSQITNNIDPVGRIQMRTRRTLRGHLAKIYAM
HWGTDSRLLVSASQDGKLIIWDSYTTNKVHAIPLRSSWVMTCAYAPSGNYVACGGLDNIC
SIYNLKTREGNVRVSRELAGHTGYLSCCRFLDDNQIVTSSGDTTCALWDIETGQQTTTFT
GHTGDVMSLSLAPDTRLFVSGACDASAKLWDVREGMCRQTFTGHESDINAICFFPNGNAF
ATGSDDATCRLFDLRADQELMTYSHDNIICGITSVSFSKSGRLLLAGYDDFNCNVWDALK
ADRAGVLAGHDNRVSCLGVTDDGMAVATGSWDSFLKIWN

Sequence of entity 4 (D), FASTA

>8E9X_4 Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2 (chains D)
MASNNTASIAQARKLVEQLKMEANIDRIKVSKAAADLMAYCEAHAKEDPLLTPVPASENP
FREKKFFCAIL

Sequence of entity 5 (E), FASTA

>8E9X_5 scFv16 (chains E)
DVQLVESGGGLVQPGGSRKLSCSASGFAFSSFGMHWVRQAPEKGLEWVAYISSGSGTIYY
ADTVKGRFTISRDDPKNTLFLQMTSLRSEDTAMYYCVRSIYYYGSSPFDFWGQGTTLTVS
SGGGGSGGGGSGGGGSDIVMTQATSSVPVTPGESVSISCRSSKSLLHSNGNTYLYWFLQR
PGQSPQLLIYRMSNLASGVPDRFSGSGSGTAFTLTISRLEAEDVGVYYCMQHLEYPLTFG
AGTKLELKAAA

Ligands and cofactors

ID	Name	Formula	Copies
WEC	11-(4-methylpiperazin-1-yl)-5H-dibenzo[b,e][1,4]diazepine	C18 H20 N4	1

Primary citation

Molecular basis for selective activation of DREADD-based chemogenetics. Zhang, S., Gumpper, R.H., Huang, X.P. et al. Nature (2022) 612:354-362. DOI 10.1038/s41586-022-05489-0 · PubMed

Other PDB entries of the same protein (UniProt P08173 (AlphaFold model), which also has an AlphaFold model), best resolution first:

7TRP 2.4 Å, Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and…
8FX5 2.45 Å, Human M4 muscarinic acetylcholine receptor complex with Gi1 and xanomeline
7TRQ 2.5 Å, Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo and…
9N09 2.57 Å, Human M4 muscarinic acetylcholine receptor Gi1 complex (mini-Gsi chimera) bound to the…
5DSG 2.6 Å, Structure of the M4 muscarinic acetylcholine receptor (M4-mT4L) bound to tiotropium
9N29 2.6 Å, hM4Di(GRANPA) in complex with mGsI and diphenhydramine
9KVP 2.79 Å, Structure of SB290157 bound to human C3aR in complex with Go (Full map)
7TRK 2.8 Å, Human M4 muscarinic acetylcholine receptor complex with Gi1 and the agonist iperoxo
7TRS 2.8 Å, Human M4 muscarinic acetylcholine receptor complex with Gi1 and the endogenous agonist…
9KVS 2.81 Å, Structure of SB290157 bound to human C3aR in complex with Go (Receptor Ligand Focused map)
9KV6 2.88 Å, Structure of mouse TLQP21 bound to mouse C3aR in complex with Go
6KP6 3.0 Å, The structural study of mutation induced inactivation of Human muscarinic receptor M4

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