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- PDB-1qky: Solution structure of PI7, a non toxic peptide isolated from the ... -
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Basic information
Entry | Database: PDB / ID: 1qky | ||||||
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Title | Solution structure of PI7, a non toxic peptide isolated from the scorpion Pandinus Imperator. | ||||||
![]() | TOXIN 7 FROM PANDINUS IMPERATOR | ||||||
![]() | NEUROTOXIN | ||||||
Function / homology | Scorpion short chain toxin, potassium channel inhibitor / Scorpion short toxin, BmKK2 / Knottin, scorpion toxin-like superfamily / ion channel inhibitor activity / : / toxin activity / extracellular region / Potassium channel toxin alpha-KTx 6.5![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Delepierre, M. / Prochnicka-Chalufour, A. / Boisbouvier, J. / Possani, L.D. | ||||||
![]() | ![]() Title: Pi7, an orphan peptide from the scorpion Pandinus imperator: a 1H-NMR analysis using a nano-NMR Probe. Authors: Delepierre, M. / Prochnicka-Chalufour, A. / Boisbouvier, J. / Possani, L.D. #1: Journal: Toxicon / Year: 1998 Title: Two Similar Peptides from the Venom of the Scorpion Pandinus Imperator, One Highly Effective Blocker and the Other Inactive on K+ Channels Authors: Olamendi-Portugal, T. / Gomez-Lagunas, F. / Gurrola, G.B. / Possani, L.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 158 KB | Display | ![]() |
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PDB format | ![]() | 136.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 380.3 KB | Display | ![]() |
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Full document | ![]() | 447.8 KB | Display | |
Data in XML | ![]() | 10 KB | Display | |
Data in CIF | ![]() | 16.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 4297.019 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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Sequence details | THE PEPTIDE STUDIED HERE IS RELATED IN SEQUENCE TO THE POTASSIUM CHANNEL BLOCKING TOXINS, HOWEVER ...THE PEPTIDE STUDIED HERE IS RELATED IN SEQUENCE TO THE POTASSIUM CHANNEL BLOCKING TOXINS, HOWEVER THE ALIGNMENT IS ONLY 60 PERCENT FOR THE PEPTIDES: SCKA_PANIM P55927 (47 AA) SCKB_PANIM P55928 (35 AA) SCKG_PANIM Q10726 (35 AA) 1QKY DEAIRCTGTK |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: NOESY |
NMR details | Text: THE STRUCTURE OF THE NATURAL TOXIN EXTRACTED FROM THE SCORPION VENOM WAS DETERMINED BY HOMONUCLEAR NMR AT 500 MHZ FROM NANOMOLE AMOUNT OF COMPOUND. |
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Sample preparation
Details | Contents: H2O/D2O |
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Sample conditions | pH: 3.5 / Pressure: 1 atm / Temperature: 308 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: THE STRUCTURE WAS CALCULATED USING THE PROGRAM DYANA. TWENTY FIVE BEST DYANA CONFORMERS WERE SUBMITTED TO RESTRAINED ENERGY MINIMIZATION IN A SHELL OF 584 WATER MOLECULES USING THE PROGRAM ...Details: THE STRUCTURE WAS CALCULATED USING THE PROGRAM DYANA. TWENTY FIVE BEST DYANA CONFORMERS WERE SUBMITTED TO RESTRAINED ENERGY MINIMIZATION IN A SHELL OF 584 WATER MOLECULES USING THE PROGRAM OPAL. COORDINATES FOR THE WATER ARE NOT CONTAINED IN THIS ENTRY. FOR FURTHER DETAILS ON THE REFINEMENT SEE THE JRNL CITATION ABOVE. | ||||||||||||
NMR ensemble | Conformer selection criteria: LEAST RESTRAINT VIOLATION, STRUCTURE QUALITY ACCORDING TO PROCHECK Conformers calculated total number: 200 / Conformers submitted total number: 14 |