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- PDB-4mqt: Structure of active human M2 muscarinic acetylcholine receptor bo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4mqt | ||||||
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Title | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo and allosteric modulator LY2119620 | ||||||
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![]() | SIGNALING PROTEIN / G protein-coupled receptor / Muscarinic acetylcholine receptor / allosteric modulation | ||||||
Function / homology | ![]() Muscarinic acetylcholine receptors / symmetric synapse / phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway / G protein-coupled acetylcholine receptor activity / cholinergic synapse / regulation of smooth muscle contraction / adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway / G protein-coupled serotonin receptor activity / arrestin family protein binding / regulation of heart contraction ...Muscarinic acetylcholine receptors / symmetric synapse / phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway / G protein-coupled acetylcholine receptor activity / cholinergic synapse / regulation of smooth muscle contraction / adenylate cyclase-inhibiting G protein-coupled acetylcholine receptor signaling pathway / G protein-coupled serotonin receptor activity / arrestin family protein binding / regulation of heart contraction / G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger / asymmetric synapse / axon terminus / presynaptic modulation of chemical synaptic transmission / clathrin-coated endocytic vesicle membrane / response to virus / adenylate cyclase-modulating G protein-coupled receptor signaling pathway / G protein-coupled acetylcholine receptor signaling pathway / Cargo recognition for clathrin-mediated endocytosis / Clathrin-mediated endocytosis / nervous system development / presynaptic membrane / G alpha (i) signalling events / chemical synaptic transmission / postsynaptic membrane / G protein-coupled receptor signaling pathway / neuronal cell body / glutamatergic synapse / synapse / dendrite / membrane / plasma membrane Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Kruse, A.C. / Ring, A.M. / Manglik, A. / Hu, J. / Hu, K. / Eitel, K. / Huebner, H. / Pardon, E. / Valant, C. / Sexton, P.M. ...Kruse, A.C. / Ring, A.M. / Manglik, A. / Hu, J. / Hu, K. / Eitel, K. / Huebner, H. / Pardon, E. / Valant, C. / Sexton, P.M. / Christopoulos, A. / Felder, C.C. / Gmeiner, P. / Steyaert, J. / Weis, W.I. / Garcia, K.C. / Wess, J. / Kobilka, B.K. | ||||||
![]() | ![]() Title: Activation and allosteric modulation of a muscarinic acetylcholine receptor. Authors: Kruse, A.C. / Ring, A.M. / Manglik, A. / Hu, J. / Hu, K. / Eitel, K. / Hubner, H. / Pardon, E. / Valant, C. / Sexton, P.M. / Christopoulos, A. / Felder, C.C. / Gmeiner, P. / Steyaert, J. / ...Authors: Kruse, A.C. / Ring, A.M. / Manglik, A. / Hu, J. / Hu, K. / Eitel, K. / Hubner, H. / Pardon, E. / Valant, C. / Sexton, P.M. / Christopoulos, A. / Felder, C.C. / Gmeiner, P. / Steyaert, J. / Weis, W.I. / Garcia, K.C. / Wess, J. / Kobilka, B.K. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR DETERMINED |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 94.8 KB | Display | ![]() |
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PDB format | ![]() | 68.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4mqsSC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 39951.734 Da / Num. of mol.: 1 / Fragment: UNP residues 1-232,373-466 / Mutation: N0D, N1D, N4D, N7D, A373T, K374R Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Antibody | Mass: 13428.396 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-IXO / |
#4: Chemical | ChemComp-2CU / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.51 Å3/Da / Density % sol: 64.91 % |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase Details: Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 0.5 mM LY2119620, 10 - 20% PEG300, 100 mM HEPES pH 7.2 - 7.9, 1.2% 1,2,3-heptanetriol, and 20 - 80 mM EDTA pH 8.0, ...Details: Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 0.5 mM LY2119620, 10 - 20% PEG300, 100 mM HEPES pH 7.2 - 7.9, 1.2% 1,2,3-heptanetriol, and 20 - 80 mM EDTA pH 8.0, Lipidic cubic phase, temperature 293K |
-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Apr 16, 2013 / Details: Mirrors |
Radiation | Monochromator: Double crystal cryo-cooled Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 3.7→36 Å / Num. obs: 7871 / % possible obs: 93 % / Observed criterion σ(I): -3 / Redundancy: 4.8 % / Rmerge(I) obs: 0.195 |
Reflection shell | Resolution: 3.7→3.8 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.605 / Num. unique all: 644 / % possible all: 80.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 4MQS Resolution: 3.7→36 Å / SU ML: 0.59 / Cross valid method: THROUGHOUT / σ(F): 1.37 / Phase error: 33.55 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.7→36 Å
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Refine LS restraints |
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LS refinement shell |
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