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- PDB-6g4m: Torpedo californica acetylcholinesterase bound to uncharged hybri... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6g4m | |||||||||
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Title | Torpedo californica acetylcholinesterase bound to uncharged hybrid reactivator 1 | |||||||||
![]() | Acetylcholinesterase![]() | |||||||||
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Function / homology | ![]() acetylcholine catabolic process in synaptic cleft / ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Santoni, G. / De la Mora, E. / de Souza, J. / Silman, I. / Sussman, J. / Baati, R. / Weik, M. / Nachon, F. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structure-Based Optimization of Nonquaternary Reactivators of Acetylcholinesterase Inhibited by Organophosphorus Nerve Agents. Authors: Santoni, G. / de Sousa, J. / de la Mora, E. / Dias, J. / Jean, L. / Sussman, J.L. / Silman, I. / Renard, P.Y. / Brown, R.C.D. / Weik, M. / Baati, R. / Nachon, F. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 236.3 KB | Display | ![]() |
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PDB format | ![]() | 188.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6fldC ![]() 6fqnC ![]() 6g17C ![]() 6g4nC ![]() 6g4oC ![]() 6g4pC ![]() 1ea5S C: citing same article ( 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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Unit cell |
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Components
#1: Protein | ![]() Mass: 60736.516 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]() ![]() ![]() References: UniProt: P04058, ![]() #2: Chemical | ChemComp-DQ5 / #3: Sugar | ChemComp-NAG / ![]() #4: Chemical | ChemComp-CL / | ![]() #5: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3 Å3/Da / Density % sol: 58.99 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / pH: 5.6 / Details: 150mM MES 36% PEG 200 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Sep 30, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.63→45.911 Å / Num. obs: 43964 / % possible obs: 99.88 % / Redundancy: 4.9 % / Rrim(I) all: 0.1941 / Net I/σ(I): 9.22 |
Reflection shell | Resolution: 2.724→2.724 Å / Mean I/σ(I) obs: 1.88 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1ea5 Resolution: 2.63→45.91 Å / SU ML: 0.33 / Cross valid method: FREE R-VALUE / σ(F): 1.34 / Phase error: 30.85
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.63→45.91 Å
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Refine LS restraints |
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LS refinement shell |
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