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- PDB-1qk6: Solution structure of huwentoxin-I by NMR -

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Basic information

Entry
Database: PDB / ID: 1qk6
TitleSolution structure of huwentoxin-I by NMR
ComponentsHUWENTOXIN-I
KeywordsTOXIN / 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
Huwentoxin-1 family signature. / Huwentoxin, conserved site-1 / Huwentoxin-1 family / Ion channel inhibitory toxin
Similarity search - Domain/homology
Mu/omega-theraphotoxin-Hs1a
Similarity search - Component
Biological speciesSELENOCOSMIA HUWENA (Chinese earth tiger)
MethodSOLUTION NMR / distance geometry
AuthorsQu, 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.
#2: Journal: Toxicon / Year: 1993
Title: Properties and Amino Acid Sequence of Huwentoxin-I, a Neurotoxin Purified from the Venom of the Chinese Bird Spider Selenocosmia Huwena
Authors: Liang, S. / Zhang, D. / Pan, X. / Chen, Q. / Zhou, P.
#3: Journal: J.Protein Chem. / Year: 1993
Title: Assignment of the Three Disulfide Bridges of Huwentoxin-I,A Neurotoxin from the Spider Selenocosmia Huwena
Authors: Zhang, D. / Liang, S.
History
DepositionJul 10, 1999Deposition site: PDBE / Processing site: PDBE
Revision 1.0Aug 20, 1999Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Jan 16, 2019Group: Data collection / Database references / Category: citation / Item: _citation.page_last
Remark 700 SHEET DETERMINATION METHOD: AUTHOR PROVIDED.

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: HUWENTOXIN-I


Theoretical massNumber of molelcules
Total (without water)3,7641
Polymers3,7641
Non-polymers00
Water00
1


  • Idetical with deposited unit
  • defined by author
TypeNameSymmetry operationNumber
identity operation1_555x,y,z1
NMR ensembles
DataCriteria
Number of conformers (submitted / calculated)10 / 50STEREOCHEMICAL ENERGY AND RESULT OF PROCHECK
RepresentativeModel #1

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Components

#1: Protein/peptide HUWENTOXIN-I


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

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY
NMR detailsText: BEST PROCHECK RESULT. NULL

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Sample preparation

DetailsContents: 10% WATER/90% D2O
Sample conditionsIonic strength: 20 mM / pH: 5.0 / Pressure: 1 atm / Temperature: 285 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker DMX / Manufacturer: Bruker / Model: DMX / Field strength: 500 MHz

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Processing

NMR software
NameVersionDeveloperClassification
X-PLOR3.851BRUNGERrefinement
X-PLORstructure solution
RefinementMethod: distance geometry / Software ordinal: 1
NMR ensembleConformer selection criteria: STEREOCHEMICAL ENERGY AND RESULT OF PROCHECK
Conformers calculated total number: 50 / Conformers submitted total number: 10

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