5ZKB: PDB entry 5ZKB

Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor bound with AF-DX 384. Determined by X-ray diffraction at 2.95 Å resolution. Released 21 Nov 2018.

Method: X-ray diffraction
Resolution: 2.95 Å
Organism: Homo sapiens
Chains: 1
Atoms: 3,058
Mol. weight: 47.77 kDa
Ligands: 82F
Released: 21 Nov 2018

Explore 5ZKB in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5ZKB contains 20 α-helices and 0 β-strands across 1 chain. 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: 20 helices, 0 β-strands

Element	Residues	Length
α-helix	19-50	32
α-helix	57-71	15
α-helix	72-76	5
α-helix	77-86	10
α-helix	93-126	34
α-helix	132-134	3
α-helix	137-165	29
α-helix	172	1
α-helix	180-182	3
α-helix	184-191	8
α-helix	192-196	5
α-helix	197-212	16
α-helix	217-1018	19
α-helix	1023-1041	19
α-helix	1059-1080	22
α-helix	1084-1105	22
α-helix	377-379	3
α-helix	381-410	30
α-helix	419-440	22
α-helix	445-455	11

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2	A	protein	421	Homo sapiens	P08172 (AlphaFold model), P0ABE7 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5ZKB_1 Muscarinic acetylcholine receptor M2,Apo-cytochrome b562,Muscarinic acetylcholine receptor M2 (chains A)
GPMDDSTDSSDNSLALTSPYKTFEVVFIVLVAGSLSLVTIIGNILVMVSIKVNRHLQTVN
NYFLFSLACADLIIGVFSMNLYTLYTVIGYWPLGPVVCDLWLALDYVVSNARVMNLLIIS
FDRYFCVTKPLTYPVKRTTKMAGMMIAAAWVLSFILWAPAILFWQFIVGVRTVEDGECYI
QFFSNAAVTFGTAIAAFYLPVIIMTVLYWHISRASKSRIADLEDNWETLNDNLKVIEKAD
NAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANE
GKVKEAQAAAEQLKTTRNAYIQKYLPPPSREKKVTRTILAILLAFIITWAPYNVMVLINT
FCAPCIPNTVWTIGYWLCYINSTINPACYALCNATFKKTFKHLLMCHYKNIGATRLEVLF
Q

Ligands and cofactors

ID	Name	Formula	Copies
82F	N-[2-[(2S)-2-[(dipropylamino)methyl]piperidin-1-yl]ethyl]-6-oxidanylidene-5H-py…	C27 H38 N6 O2	1

Primary citation

Structural insights into the subtype-selective antagonist binding to the M2muscarinic receptor. Suno, R., Lee, S., Maeda, S. et al. Nat Chem Biol (2018) 14:1150-1158. DOI 10.1038/s41589-018-0152-y · PubMed

Other PDB entries of the same protein (UniProt P08172 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5ZKC 2.3 Å, Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor…
5YC8 2.5 Å, Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor…
5ZK3 2.6 Å, Crystal structure of rationally thermostabilized M2 muscarinic acetylcholine receptor…
8J8R 2.9 Å, Structure of beta-arrestin2 in complex with M2Rpp
3UON 3.0 Å, Structure of the human M2 muscarinic acetylcholine receptor bound to an antagonist
5ZK8 3.0 Å, Crystal structure of M2 muscarinic acetylcholine receptor bound with NMS
8JAF 3.1 Å, Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local Refine,…
7T94 3.16 Å, Cryo-EM structure of S1 state ACh-bound M2R-Go signaling complex with a PAM
8J97 3.2 Å, Structure of Muscarinic receptor (M2R) in complex with beta-arrestin1 (Local refine,…
7T8X 3.21 Å, Cryo-EM structure of ACh-bound M2R-Go signaling complex in S1 state
7T96 3.22 Å, Cryo-EM structure of S2 state ACh-bound M2R-Go signaling complex with a PAM
7T90 3.32 Å, Cryo-EM structure of ACh-bound M2R-Go signaling complex in S2 state

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