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Yorodumi- PDB-4mqs: Structure of active human M2 muscarinic acetylcholine receptor bo... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4mqs | ||||||
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Title | Structure of active human M2 muscarinic acetylcholine receptor bound to the agonist iperoxo | ||||||
Components |
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Keywords | SIGNALING PROTEIN / G protein-coupled receptor / Muscarinic acetylcholine receptor | ||||||
Function / homology | Function and homology information Muscarinic acetylcholine receptors / symmetric synapse / phospholipase C-activating G protein-coupled acetylcholine receptor signaling pathway / G protein-coupled acetylcholine receptor activity / regulation of smooth muscle contraction / cholinergic synapse / 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 / regulation of smooth muscle contraction / cholinergic synapse / 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 / presynaptic membrane / Clathrin-mediated endocytosis / nervous system development / G alpha (i) signalling events / chemical synaptic transmission / postsynaptic membrane / G protein-coupled receptor signaling pathway / neuronal cell body / dendrite / synapse / glutamatergic synapse / membrane / plasma membrane Similarity search - Function | ||||||
Biological species | Homo sapiens (human) Lama glama (llama) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å | ||||||
Authors | 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. | ||||||
Citation | Journal: Nature / Year: 2013 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 |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4mqs.cif.gz | 93.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4mqs.ent.gz | 67.9 KB | Display | PDB format |
PDBx/mmJSON format | 4mqs.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mq/4mqs ftp://data.pdbj.org/pub/pdb/validation_reports/mq/4mqs | HTTPS FTP |
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-Related structure data
Related structure data | 4mqtC 3uonS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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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.) Homo sapiens (human) / Gene: CHRM2 / Plasmid: PVL1392 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P08172 |
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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.) Lama glama (llama) / Plasmid: pMAL3CBN / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) |
#3: Chemical | ChemComp-IXO / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.76 Å3/Da / Density % sol: 67.31 % |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase Details: Reconstituted in 10:1 monoolein:cholesterol mix. Precipitant solution: 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: SYNCHROTRON / Site: APS / Beamline: 23-ID-D / Wavelength: 1.033 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Feb 23, 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: 3.5→33 Å / Num. all: 10386 / Num. obs: 10386 / % possible obs: 95.9 % / Observed criterion σ(I): -3 / Redundancy: 4.8 % / Rmerge(I) obs: 0.188 |
Reflection shell | Resolution: 3.5→3.6 Å / Redundancy: 2.5 % / Rmerge(I) obs: 0.744 / Num. unique all: 871 / % possible all: 83.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 3UON Resolution: 3.5→32.522 Å / SU ML: 0.57 / Cross valid method: THROUGHOUT / σ(F): 1.38 / Phase error: 35.28 / 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: 3.5→32.522 Å
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Refine LS restraints |
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LS refinement shell |
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