+Open data
-Basic information
Entry | Database: PDB / ID: 1quz | ||||||
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Title | Solution structure of the potassium channel scorpion toxin HSTX1 | ||||||
Components | HSTX1 TOXIN | ||||||
Keywords | TOXIN / SCORPION TOXIN / ALPHA BETA / MOLECULAR MODELING / POTASSIUM CHANNEL | ||||||
Function / homology | Scorpion short toxins signature. / Scorpion short chain toxin, potassium channel inhibitor / Scorpion short toxin, BmKK2 / Knottin, scorpion toxin-like superfamily / ion channel inhibitor activity / potassium channel regulator activity / toxin activity / extracellular region / Potassium channel toxin alpha-KTx 6.3 Function and homology information | ||||||
Method | SOLUTION NMR / A COMPLETLY EXTENDED CONFORMATION WAS USED AS THE STARTING STRUCTURE. 25 ITERATIONS WERE MADE. 500 STRUCTURES WERE CALCULATED. RESTRAINED MOLECULAR DYNAMICS AT 600K A SLOW COOLING. MINIMIZATION WERE MADE WITH AN ELECTROSTATIC TERM TOPALLH22X.PRO, PARALLH22X.PRO | ||||||
Authors | Savarin, P. / Romi-Lebrun, R. / Zinn-Justin, S. / Lebrun, B. / Nakajima, T. / Gilquin, B. / Menez, A. | ||||||
Citation | Journal: Protein Sci. / Year: 1999 Title: Structural and functional consequences of the presence of a fourth disulfide bridge in the scorpion short toxins: solution structure of the potassium channel inhibitor HsTX1. Authors: Savarin, P. / Romi-Lebrun, R. / Zinn-Justin, S. / Lebrun, B. / Nakajima, T. / Gilquin, B. / Menez, A. #1: Journal: Biochem.J. / Year: 1997 Title: A four-disulfide-bridged toxin, with high affinity towards voltage-gatedc K+ channels, isolated from Heterometrus spinnifer (scorpionidae) venom Authors: Lebrun, B. / Romi-Lebrun, R. / Martin-Eauclaire, M.F. / Yasuda, A. / Ishiguro, M. / Oyama, Y. / Pongs, O. / Nakajima, T. #2: Journal: Toxicon / Year: 1998 Title: Maurotoxin, a four disulfide bridges scorpion toxin acting on K+ channels. Authors: Rochat, H. / Kharrat, R. / Sabatier, J.M. / Mansuelle, P. / Crest, M. / Martin-Eauclaire, M.F. / Sampieri, F. / Oughideni, R. / Mabrouk, K. / Jacquet, G. / Van Rietschoten, J. / El Ayeb, M. #3: Journal: Biochemistry / Year: 1997 Title: Purification, characterization, and synthesis of three novel toxins from the Chinese scorpion Buthus martensi, which act on K+ channels Authors: Romi-Lebrun, R. / Lebrun, B. / Martin-Eauclaire, M.F. / Ishiguro, M. / Escoubas, P. / Wu, F.Q. / Hisada, M. / Pongs, O. / Nakajima, T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1quz.cif.gz | 202.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1quz.ent.gz | 175.2 KB | Display | PDB format |
PDBx/mmJSON format | 1quz.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qu/1quz ftp://data.pdbj.org/pub/pdb/validation_reports/qu/1quz | HTTPS FTP |
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-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 3834.593 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: SOLID PHASE CHEMICAL SYNTHESIS USING THE FMOC METHODOLOGY. THE SEQUENCE OF THIS PEPTIDE OCCURS NATURALLY IN SCORPIONS (SCORPIONIDAE). References: UniProt: P59867 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample conditions | pH: 4.0 / Pressure: 1 atm / Temperature: 308 K | ||||||
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker DRX / Manufacturer: Bruker / Model: DRX / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: A COMPLETLY EXTENDED CONFORMATION WAS USED AS THE STARTING STRUCTURE. 25 ITERATIONS WERE MADE. 500 STRUCTURES WERE CALCULATED. RESTRAINED MOLECULAR DYNAMICS AT 600K A SLOW COOLING. ...Method: A COMPLETLY EXTENDED CONFORMATION WAS USED AS THE STARTING STRUCTURE. 25 ITERATIONS WERE MADE. 500 STRUCTURES WERE CALCULATED. RESTRAINED MOLECULAR DYNAMICS AT 600K A SLOW COOLING. MINIMIZATION WERE MADE WITH AN ELECTROSTATIC TERM TOPALLH22X.PRO, PARALLH22X.PRO Software ordinal: 1 | ||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||
NMR ensemble | Conformer selection criteria: all calculated structures submitted Conformers calculated total number: 20 / Conformers submitted total number: 20 |