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- PDB-2vlw: Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative. -
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Open data
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Basic information
Entry | Database: PDB / ID: 2vlw | ||||||
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Title | Crystal structure of the muscarinic toxin MT7 diiodoTYR51 derivative. | ||||||
![]() | MUSCARINIC M1-TOXIN1 | ||||||
![]() | TOXIN / ACETYLCHOLINE RECEPTOR INHIBITOR / GREEN MAMBA SNAKE TOXIN / HM1 MUSCARINIC RECEPTOR / SECRETED / NEUROTOXIN / DIIODOTYROSINE / MUSCARINIC TOXIN / POSTSYNAPTIC NEUROTOXIN | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Menez, R. / Granata, V. / Mourier, G. / Fruchart-Gaillard, C. / Menez, A. / Servant, D. / Stura, E.A. | ||||||
![]() | ![]() Title: Different Interactions between Mt7 Toxin and the Human Muscarinic M1 Receptor in its Free and N-Methylscopolamine-Occupied States. Authors: Fruchart-Gaillard, C. / Mourier, G. / Marquer, C. / Stura, E. / Birdsall, N.J.M. / Servent, D. #1: ![]() Title: Comparison of the Structures of Two Muscarinic Toxins from Green Mamba Venom Authors: Menez, R. / Granata, V. / Mourier, G. / Ledu, M.H. / Servant, D. / Menez, A. / Stura, E.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 43.9 KB | Display | ![]() |
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PDB format | ![]() | 30.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 463 KB | Display | ![]() |
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Full document | ![]() | 464.3 KB | Display | |
Data in XML | ![]() | 10.1 KB | Display | |
Data in CIF | ![]() | 13.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1ff4S S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper: (Code: given Matrix: (-0.99997, 0.00469, 0.0061), Vector: |
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Components
#1: Protein | Mass: 7741.347 Da / Num. of mol.: 2 / Source method: obtained synthetically / Details: CHEMICAL PEPTIDE SYNTHESIS ACCORDING TO SEQUENCE. Source: (synth.) ![]() References: UniProt: Q8QGR0 #2: Chemical | ChemComp-ACT / | #3: Chemical | #4: Water | ChemComp-HOH / | Nonpolymer details | SULFATE ION (SO4): SO4 FROM CRYSTALLIZATION PRECIPITANT OR CRYOSALT. ACETATE ION (ACT): ACETATE ...SULFATE ION (SO4): SO4 FROM CRYSTALLIZ | Sequence details | Y51 IS DIIODINATE | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.1 Å3/Da / Density % sol: 41.9 % / Description: NONE |
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Crystal grow | pH: 5.5 Details: 1.25M AMMONIUM SULFATE, 90MM SODIUM CITRATE, 10% 4-METHYL PENTANEDIOL, PH 5.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Jun 16, 2005 / Details: MIRRORS |
Radiation | Monochromator: CHANNEL-CUT SILICON MONOCHROMATOR / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.937801 Å / Relative weight: 1 |
Reflection | Resolution: 1.39→45.13 Å / Num. obs: 24835 / % possible obs: 95.3 % / Redundancy: 2.2 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 5 |
Reflection shell | Resolution: 1.38→1.42 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.48 / Mean I/σ(I) obs: 2.5 / % possible all: 75.3 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1FF4 Resolution: 1.39→45.13 Å / Cor.coef. Fo:Fc: 0.954 / Cor.coef. Fo:Fc free: 0.951 / SU B: 1.217 / SU ML: 0.049 / Cross valid method: THROUGHOUT / ESU R: 0.071 / ESU R Free: 0.067 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.26 Å2
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Refinement step | Cycle: LAST / Resolution: 1.39→45.13 Å
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Refine LS restraints |
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