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Open data
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Basic information
Entry | Database: PDB / ID: 1sn4 | ||||||
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Title | STRUCTURE OF SCORPION NEUROTOXIN BMK M4 | ||||||
![]() | PROTEIN (NEUROTOXIN BMK M4) | ||||||
![]() | TOXIN / NEUROTOXIN / SODIUM CHANNEL INHIBITOR / SCORPION | ||||||
Function / homology | ![]() sodium channel inhibitor activity / : / defense response / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | He, X.L. / Li, H.M. / Liu, X.Q. / Zeng, Z.H. / Wang, D.C. | ||||||
![]() | ![]() Title: Crystal structures of two alpha-like scorpion toxins: non-proline cis peptide bonds and implications for new binding site selectivity on the sodium channel. Authors: He, X.L. / Li, H.M. / Zeng, Z.H. / Liu, X.Q. / Wang, M. / Wang, D.C. #1: ![]() Title: Crystal Structure of Toxin II from the Scorpion Androctonus Australis Hector Refined at 1.3 A Resolution Authors: Housset, D. / Habersetzer-Rochat, C. / Astier, J.P. / Fontecilla-Camps, J.C. #2: ![]() Title: Purification and Partial Characterization of Several New Neurotoxins from East_ Asia Scorpion Crystallographic Studies on an Acidic Toxin from Scorpion Buthus Martensii Karsch Authors: Hu, R.Q. / Wang, M. / LIU, J.N. / LEI, K.J. #3: ![]() Title: Structure of Scorpion Toxin Variant-3 at 1.2 A Resolution Authors: Zhao, B. / Carson, M. / Ealick, S.E. / Bugg, C.E. #4: ![]() Title: Purification and Sequence Determination of a New Neutral Mammalian Neurotoxin from the Scorpion Buthus Martensii Karsch Authors: Luo, M.J. / Xiong, Y.M. / Wang, M. / Wang, D.C. / Chi, C.W. #5: ![]() Title: Crystal Structure of an Acidic Neurotoxin from Scorpion Buthus Martensii Karsch at 1.85A Resolution Authors: Li, H.M. / Wang, D.C. / Jin, L. / ZENG, Z.H. / Hu, R.Q. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 28.2 KB | Display | ![]() |
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PDB format | ![]() | 17.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 377.3 KB | Display | ![]() |
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Full document | ![]() | 378.8 KB | Display | |
Data in XML | ![]() | 3.4 KB | Display | |
Data in CIF | ![]() | 5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 7029.957 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() | ||
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#2: Chemical | ChemComp-ACT / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 40.6 % | ||||||||||||||||||||
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Crystal grow | pH: 6.8 / Details: pH 6.8 | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 23 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 283 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Detector: IMAGE PLATE / Date: Dec 14, 1991 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→21.3 Å / Num. obs: 10577 / % possible obs: 73.5 % / Redundancy: 2.2 % / Biso Wilson estimate: 20.2 Å2 / Rmerge(I) obs: 0.062 / Net I/σ(I): 3.7 |
Reflection shell | Resolution: 1.3→1.35 Å / Redundancy: 1.8 % / Rmerge(I) obs: 0.32 / Mean I/σ(I) obs: 2.2 / % possible all: 51.2 |
Reflection | *PLUS Num. obs: 10578 / Num. measured all: 23268 |
Reflection shell | *PLUS % possible obs: 60.2 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: BMK M1 Resolution: 1.3→20 Å / Data cutoff high absF: 100000 / Data cutoff low absF: 0.1 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 26.9 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.3→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.3→1.35 Å / Total num. of bins used: 10
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.3 Å / Lowest resolution: 20 Å / σ(F): 2 / % reflection Rfree: 10 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 26.9 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.343 / % reflection Rfree: 10.8 % / Rfactor Rwork: 0.299 |