+Open data
-Basic information
Entry | Database: PDB / ID: 1qk6 | ||||||
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Title | Solution structure of huwentoxin-I by NMR | ||||||
Components | HUWENTOXIN-I | ||||||
Keywords | TOXIN / HUWENTOXIN-I / SPIDER / CYSTINE KNOT | ||||||
Function / homology | Function and homology information host cell postsynaptic membrane / ion channel inhibitor activity / : / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | SELENOCOSMIA HUWENA (Chinese earth tiger) | ||||||
Method | SOLUTION NMR / distance geometry | ||||||
Authors | Qu, Y. / Liang, S. / Ding, J. / Liu, X. / Zhang, R. / Gu, X. | ||||||
Citation | Journal: J.Protein Chem. / Year: 1997 Title: Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:2.Three-Dimensional Structure in Solution Authors: Qu, Y. / Liang, S. / Ding, J. / Liu, X. / Zhang, R. / Gu, X. #1: Journal: J.Protein Chem. / Year: 1995 Title: Proton Nuclear Magnetic Resonance Studies on Huwentoxin-I from the Venom of the Spider Selenocosmia Huwena:1.Sequence-Specific 1H-NMR Assignment Authors: Qu, Y. / Liang, S. / Ding, J. / Ma, L. / Zhang, R. / Gu, X. | ||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: AUTHOR PROVIDED. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1qk6.cif.gz | 102.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1qk6.ent.gz | 88.1 KB | Display | PDB format |
PDBx/mmJSON format | 1qk6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1qk6_validation.pdf.gz | 348.2 KB | Display | wwPDB validaton report |
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Full document | 1qk6_full_validation.pdf.gz | 397.9 KB | Display | |
Data in XML | 1qk6_validation.xml.gz | 6.8 KB | Display | |
Data in CIF | 1qk6_validation.cif.gz | 10.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qk/1qk6 ftp://data.pdbj.org/pub/pdb/validation_reports/qk/1qk6 | HTTPS FTP |
-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: 3764.470 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) SELENOCOSMIA HUWENA (Chinese earth tiger) / Organ: VENOM GLAND / Secretion: VENOM / References: UniProt: P56676 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: BEST PROCHECK RESULT. NULL |
-Sample preparation
Details | Contents: 10% WATER/90% D2O |
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Sample conditions | Ionic strength: 20 mM / pH: 5 / Pressure: 1 atm / Temperature: 285 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 500 MHz |
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-Processing
NMR software |
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Refinement | Method: distance geometry / Software ordinal: 1 | ||||||||||||
NMR ensemble | Conformer selection criteria: STEREOCHEMICAL ENERGY AND RESULT OF PROCHECK Conformers calculated total number: 50 / Conformers submitted total number: 10 |