8TAO: Quis and CDPPB bound active mGlu5

Quis and CDPPB bound active mGlu5. Determined by electron microscopy at 2.9 Å resolution. Released 11 Oct 2023.

Method: Electron microscopy
Resolution: 2.9 Å
Organisms: Homo sapiens, Lama glama
Chains: 4
Atoms: 13,422
Mol. weight: 225.19 kDa
Ligands: YKU, QUS
Released: 11 Oct 2023

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

Secondary structure: helices and β-sheets

8TAO contains 61 α-helices and 76 β-strands across 4 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: 29 helices, 26 β-strands

Element	Residues	Length	Sheet
α-helix	25-27	3
β-strand	29-31	3	1
β-strand	35-41	7	1
β-strand	44	1	2
α-helix	45-48	4
β-strand	60	1	2
α-helix	62-66	5
α-helix	67-80	14
β-strand	91-97	7	1
α-helix	102-120	19
β-strand	143-147	5	1
α-helix	152-162	11
α-helix	163-165	3
β-strand	169-171	3	1
α-helix	177-180	4
β-strand	188-190	3	1
α-helix	196-208	13
β-strand	213-219	7	3
α-helix	222-238	17
β-strand	241-248	8	3
α-helix	254-265	12
β-strand	273-277	5	3
α-helix	280-292	13
β-strand	300-302	3	3
α-helix	318-320	3
β-strand	325-329	5	3
α-helix	335-341	7
α-helix	355-363	9
α-helix	397-418	22
α-helix	427-429	3
α-helix	432-433	2
α-helix	434-441	8
β-strand	445-447	3	4
β-strand	453-455	3	4
β-strand	466-475	10	3
β-strand	478-488	11	3
β-strand	491-494	4	3
α-helix	505-508	4
β-strand	520-523	4	5
β-strand	533-536	4	5
β-strand	541-545	5	6
β-strand	548-551	4	6
β-strand	556-558	3	7
β-strand	565-567	3	7
α-helix	568-570	3
α-helix	578-602	25
α-helix	608-612	5
α-helix	615-635	21
α-helix	641-671	31
α-helix	692-714	23
β-strand	719-722	4	8
β-strand	730-733	4	8
α-helix	737-760	24
α-helix	775-794	20
α-helix	798-825	28

Chain B: 29 helices, 24 β-strands

Element	Residues	Length	Sheet
β-strand	29-31	3	9
β-strand	35-41	7	9
β-strand	44	1	10
α-helix	45-48	4
β-strand	60	1	10
α-helix	66-80	15
β-strand	91-97	7	9
α-helix	102-119	18
α-helix	141-142	2
β-strand	143-147	5	9
α-helix	152-163	12
β-strand	169-171	3	9
α-helix	177-180	4
β-strand	188-190	3	9
α-helix	196-208	13
β-strand	213-219	7	11
α-helix	222-235	14
β-strand	241-248	8	11
α-helix	254-266	13
β-strand	273-277	5	11
α-helix	280-293	14
β-strand	300-302	3	11
α-helix	305-307	3
α-helix	319-321	3
β-strand	325-329	5	11
α-helix	332-334	3
α-helix	335-341	7
α-helix	353-363	11
α-helix	397-418	22
α-helix	427-429	3
α-helix	434-442	9
β-strand	445-447	3	12
β-strand	453-455	3	12
β-strand	466-473	8	11
β-strand	479-488	10	11
β-strand	491-494	4	11
α-helix	507-508	2
β-strand	520-523	4	13
β-strand	533-536	4	13
β-strand	541-543	3	14
β-strand	549-551	3	14
α-helix	552-553	2
α-helix	578-603	26
α-helix	608-612	5
α-helix	615-636	22
α-helix	641-672	32
α-helix	690-714	25
β-strand	719-722	4	15
β-strand	730-733	4	15
α-helix	737-761	25
α-helix	772-794	23
α-helix	800-816	17
α-helix	819-825	7

Chain C: 2 helices, 14 β-strands

Element	Residues	Length	Sheet
β-strand	6-9	4	16
β-strand	13-15	3	17
β-strand	19-26	8	16
α-helix	31-33	3
β-strand	35-41	7	18
β-strand	47-53	7	18
β-strand	55	1	19
β-strand	57	1	19
β-strand	60-62	3	18
β-strand	70-75	6	16
β-strand	80-86	7	16
α-helix	90-92	3
β-strand	94-101	8	18
β-strand	112-115	4	18
β-strand	119-121	3	18
β-strand	122-124	3	17

Chain D: 1 helix, 12 β-strands

Element	Residues	Length	Sheet
β-strand	5-9	5	20
β-strand	12-15	4	21
β-strand	20-27	8	20
β-strand	35-41	7	21
β-strand	48-53	6	21
β-strand	60-62	3	21
β-strand	70-75	6	20
β-strand	80-85	6	20
α-helix	90-92	3
β-strand	94-101	8	21
β-strand	112-115	4	21
β-strand	116	1	20
β-strand	119-124	6	21

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Metabotropic glutamate receptor 5	A, B	protein	881	Homo sapiens	P41594 (AlphaFold model)
Nb43	C, D	protein	123	Lama glama

Sequence of entity 1 (A, B), FASTA

>8TAO_1 Metabotropic glutamate receptor 5 (chains A, B)
MKTIIALSYIFCLVFADYKDDDDAAQSSERRVVAHMPGDIIIGALFSVHHQPTVDKVHER
KCGAVREQYGIQRVEAMLHTLERINSDPTLLPNITLGCEIRDSCWHSAVALEQSIEFIRD
SLISSEEEEGLVRCVDGSSSSFRSKKPIVGVIGPGSSSVAIQVQNLLQLFNIPQIAYSAT
SMDLSDKTLFKYFMRVVPSDAQQARAMVDIVKRYNWTYVSAVHTEGNYGESGMEAFKDMS
AKEGICIAHSYKIYSNAGEQSFDKLLKKLTSHLPKARVVACFCEGMTVRGLLMAMRRLGL
AGEFLLLGSDGWADRYDVTDGYQREAVGGITIKLQSPDVKWFDDYYLKLRPETNHRNPWF
QEFWQHRFQCRLEGFPQENSKYNKTCNSSLTLKTHHVQDSKMGFVINAIYSMAYGLHNMQ
MSLCPGYAGLCDAMKPIDGRKLLESLMKTNFTGVSGDTILFDENGDSPGRYEIMNFKEMG
KDYFDYINVGSWDNGELKMDDDEVWSKKSNIIRSVCSEPCEKGQIKVIRKGEVSCCWTCT
PCKENEYVFDEYTCKACQLGSWPTDDLTGCDLIPVQYLRWGDPEPIAAVVFACLGLLATL
FVTVVFIIYRDTPVVKSSSRELCYIILAGICLGYLCTFCLIAKPKQIYCYLQRIGIGLSP
AMSYSALVTKTNRIARILAGSKKKICTKKPRFMSACAQLVIAFILICIQLGIIVALFIME
PPDIMHDYPSIREVYLICNTTNLGVVTPLGYNGLLILSCTFYAFKTRNVPANFNEAKYIA
FTMYTTCIIWLAFVPIYFGSNYKIITMCFSVSLSATVALGCMFVPKVYIILAKPERNVRS
AFTTSTVVRMHVGDGKSSSAASRSSSLVNLWKRRGSSGETL

Sequence of entity 2 (C, D), FASTA

>8TAO_2 Nb43 (chains C, D)
QVQLVESGGGLVQAGGSLRLSCAASGRTFTSYAMGWFRQAPGKERESVAAISSSGGSTHY
ADSVKGRFTISRDNSKNTVYLQMNSLKPEDTAVYYCAAAMYGSRWPDWEYDYWGQGTQVT
VSS

Ligands and cofactors

ID	Name	Formula	Copies
YKU	3-cyano-N-(1,3-diphenyl-1H-pyrazol-5-yl)benzamide	C23 H16 N4 O	1
QUS	(s)-2-amino-3-(3,5-dioxo-[1,2,4]OXADIAZOLIDIN-2-yl)-propionic acid	C5 H7 N3 O5	2

Primary citation

Stepwise activation of a metabotropic glutamate receptor. Krishna Kumar, K., Wang, H., Habrian, C. et al. Nature (2024) 629:951-956. DOI 10.1038/s41586-024-07327-x · PubMed

Other PDB entries of the same protein (UniProt P41594 (AlphaFold model), which also has an AlphaFold model), best resolution first:

6FFI 2.2 Å, Crystal Structure of mGluR5 in complex with MMPEP at 2.2 A
9HC0 2.33 Å, Dark structure of the human metabotropic glutamate receptor 5 transmembrane domain bound…
3LMK 2.44 Å, Ligand Binding Domain of Metabotropoc glutamate receptor mGluR5 complexed with glutamate
7P2L 2.54 Å, thermostabilised 7TM domain of human mGlu5 receptor bound to photoswitchable ligand…
4OO9 2.6 Å, Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane…
5CGD 2.6 Å, Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane…
6FFH 2.65 Å, Crystal Structure of mGluR5 in complex with Fenobam at 2.65 A
9HC3 2.9 Å, Apo-state structure of the human metabotropic glutamate receptor 5 transmembrane domain…
8T8M 3.0 Å, Quis-bound intermediate mGlu5
8X0G 3.0 Å, Human FL Metabotropic glutamate receptor 5, mGlu5-5M with quisqualate, Acc conformation…
8X0B 3.1 Å, Human FL Metabotropic glutamate receptor 5, mGlu5-5M with Quisqualate and VU0424465
5CGC 3.1 Å, Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane…

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