9CHX: PDB entry 9CHX

cryo-EM structure of calcineurin-fused beta2 adrenergic receptor in carazolol bound inactive state. Determined by electron microscopy at 3.5 Å resolution. Released 13 Nov 2024.

Method: Electron microscopy
Resolution: 3.5 Å
Organisms: Homo sapiens, Mus musculus
Chains: 3
Atoms: 7,129
Mol. weight: 107.01 kDa
Ligands: FK5, CAU
Released: 13 Nov 2024

Explore 9CHX in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

9CHX contains 43 α-helices and 32 β-strands across 3 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: 22 helices, 4 β-strands

Element	Residues	Length	Sheet
α-helix	33-59	27
α-helix	67-96	30
α-helix	104-136	33
α-helix	138-144	7
α-helix	147-170	24
α-helix	179-185	7
α-helix	197-204	8
α-helix	205-209	5
α-helix	210-225	16
α-helix	229-231	3
α-helix	235-245	11
β-strand	253	1	1
α-helix	255-258	4
α-helix	271-277	7
β-strand	285	1	1
α-helix	287-294	8
α-helix	303-314	12
β-strand	322	1	2
α-helix	324-335	12
α-helix	341-355	15
β-strand	363	1	2
α-helix	365-371	7
α-helix	395-420	26
α-helix	430-443	14
α-helix	445-449	5
α-helix	453-462	10

Chain B: 19 helices, 19 β-strands

Element	Residues	Length	Sheet
α-helix	21-24	4
β-strand	28	1	3
β-strand	34	1	4
α-helix	39	1
β-strand	40	1	4
α-helix	41	1
α-helix	43-49	7
β-strand	55	1	3
α-helix	57-72	16
β-strand	79-80	2	5
β-strand	84-87	4	6
α-helix	94-104	11
β-strand	112-114	3	6
α-helix	125-138	14
β-strand	143-145	3	6
α-helix	153-158	6
α-helix	162-168	7
α-helix	171-181	11
β-strand	189-190	2	5
β-strand	194-196	3	5
α-helix	208-211	4
α-helix	225-229	5
α-helix	248	1
β-strand	249	1	7
α-helix	250	1
β-strand	257	1	7
α-helix	261-270	10
β-strand	275-278	4	5
β-strand	287-289	3	5
β-strand	292	1	8
β-strand	299	1	8
β-strand	301-304	4	5
α-helix	310-312	3
β-strand	318-323	6	6
β-strand	328-333	6	6
α-helix	343-345	3
α-helix	348-352	5
α-helix	354-368	15

Chain C: 2 helices, 9 β-strands

Element	Residues	Length	Sheet
β-strand	4-8	5	9
β-strand	11	1	10
β-strand	21-25	5	9
β-strand	29-30	2	9
β-strand	46-49	4	9
α-helix	57-63	7
β-strand	68	1	10
β-strand	71-76	6	9
α-helix	91-92	2
β-strand	97-99	3	9
β-strand	102-105	4	9

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Beta-2 adrenergic receptor,Calcineurin subunit B type 1	A	protein	449	Homo sapiens	P07550 (AlphaFold model), P63098 (AlphaFold model)
Protein phosphatase 3 catalytic subunit alpha	B	protein	370	Mus musculus	P63328 (AlphaFold model)
Peptidyl-prolyl cis-trans isomerase FKBP1A	C	protein	108	Homo sapiens	P62942 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>9CHX_1 Beta-2 adrenergic receptor,Calcineurin subunit B type 1 (chains A)
DEVWVVGMGIVMSLIVLAIVFGNVLVITAIAKFERLQTVTNYFITSLACADLVMGLAVVP
FGAAHILMKMWTFGNFWCEFWTSIDVLCVTASIETLCVIAVDRYFAITSPFKYQSLLTKN
KARVIILMVWIVSGLTSFLPIQMHWYRATHQEAINCYAEETCCDFFTNQAYAIASSIVSF
YVPLVIMVFVYSRVFQEAKRQLDADEIKRLGKRFKKLDLDNSGSLSVEEFMSLPELQQNP
LVQRVIDIFDTDGNGEVDFKEFIEGVSQFSVKGDKEQKLRFAFRIYDMDKDGYISNGELF
QVLKMMVGNNLKDTQLQQIVDKTIINADKDGDGRISFEEFCAVVGGLDIHKKMVVDVKFC
LKEHKALKTLGIIMGTFTLCWLPFFIVNIVHVIQDNLIRKEVYILLNWIGYVNSGFNPLI
YCRSPDFRIAFQELLCLRRDDLKAYGNGY

Sequence of entity 2 (B), FASTA

>9CHX_2 Protein phosphatase 3 catalytic subunit alpha (chains B)
SEPKAIDPKLSTTDRVVKAVPFPPSHRLTAKEVFDNDGKPRVDILKAHLMKEGRLEESVA
LRIITEGASILRQEKNLLDIDAPVTVCGDIHGQFFDLMKLFEVGGSPANTRYLFLGDYVD
RGYFSIECVLYLWALKILYPKTLFLLRGNHECRHLTEYFTFKQECKIKYSERVYDACMDA
FDCLPLAALMNQQFLCVHGGLSPEINTLDDIRKLDRFKEPPAYGPMCDILWSDPLEDFGN
EKTQEHFTHNTVRGCSYFYSYPAVCDFLQHNNLLSILRAHEAQDAGYRMYRKSQTTGFPS
LITIFSAPNYLDVYNNKAAVLKYENNVMNIRQFNCSPHPYWLPNFMDVFTWSLPFVGEKV
TEMLVNVLNI

Sequence of entity 3 (C), FASTA

>9CHX_3 Peptidyl-prolyl cis-trans isomerase FKBP1A (chains C)
MGVQVETISPGDGRTFPKRGQTCVVHYTGMLEDGKKFDSSRDRNKPFKFMLGKQEVIRGW
EEGVAQMSVGQRAKLTISPDYAYGATGHPGIIPPHATLVFDVELLKLE

Ligands and cofactors

ID	Name	Formula	Copies
FK5	8-deethyl-8-[but-3-enyl]-ascomycin	C44 H69 N O12	1
CAU	(2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol	C18 H22 N2 O2	1

Primary citation

Calcineurin-fusion facilitates cryo-EM structure determination of a Family A GPCR. Xu, J., Chen, G., Wang, H. et al. Proc Natl Acad Sci U S A (2024) 121:e2414544121-e2414544121. DOI 10.1073/pnas.2414544121 · PubMed

Other PDB entries of the same protein (UniProt P07550 (AlphaFold model), which also has an AlphaFold model), best resolution first:

1GQ4 1.9 Å, Structural determinants of the nherf interaction with BETA2AR and pdgfr
2RH1 2.4 Å, High resolution crystal structure of human B2-adrenergic G protein-coupled receptor.
6PS2 2.4 Å, XFEL beta2 AR structure by ligand exchange from Timolol to Alprenolol.
9WG6 2.44 Å, D1R-Gs in complexed with Dopamine/LY3154207/BMSA1/UNC9815
9RKF 2.45 Å, Dark structure of beta-2 Adrenergic receptor with photoazolol in Dark state recorded at…
9RKG 2.45 Å, Mixed model refinement of beta-2 Adrenergic receptor with photoazolol in dark state and…
5D5A 2.48 Å, In meso in situ serial X-ray crystallography structure of the Beta2-adrenergic receptor…
6PS3 2.5 Å, XFEL beta2 AR structure by ligand exchange from Timolol to Carvedilol.
9Q3L 2.5 Å, CryoEM structure of beta2-adrenergic receptor dimer mediated by a biased allosteric…
9RKH 2.5 Å, Dark structure of beta-2 Adrenergic receptor with photoazolol in Dark state recorded at…
9WG0 2.59 Å, D1R-Gs in complexed with SKF81297/LY3154207/BMSA1/UNC10062
6PS4 2.6 Å, XFEL beta2 AR structure by ligand exchange from Timolol to ICI-118551.

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