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- PDB-2j6d: CONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE -

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Basic information

Entry
Database: PDB / ID: 2j6d
TitleCONKUNITZIN-S2 - CONE SNAIL NEUROTOXIN - DENOVO STRUCTURE
ComponentsCONKUNITZIN-S2
KeywordsTOXIN / PROTEASE INHIBITOR / IONIC CHANNEL INHIBITOR / KUNITZ-DOMAIN / KUNITZ-TYPE FOLD / DENOVO STRUCTURE / SERINE PROTEASE INHIBITOR / POTASSIUM CHANNEL INHIBITOR / AMIDATION / NEUROTOXIN / CONKUNITZIN
Function / homologyPancreatic trypsin inhibitor Kunitz domain / Factor Xa Inhibitor / Few Secondary Structures / Irregular
Function and homology information
Biological speciesCONUS STRIATUS (striated cone)
MethodSOLUTION NMR / FASTNMR
AuthorsKorukottu, J. / Bayrhuber, M. / Montaville, P. / Vijayan, V. / Jung, Y.-S. / Becker, S. / Zweckstetter, M.
CitationJournal: Angew.Chem.Int.Ed.Engl. / Year: 2007
Title: Fast High-Resolution Protein Structure Determination by Using Unassigned NMR Data.
Authors: Korukottu, J. / Bayrhuber, M. / Montaville, P. / Vijayan, V. / Jung, Y.-S. / Becker, S. / Zweckstetter, M.
History
DepositionSep 27, 2006Deposition site: PDBE / Processing site: PDBE
Revision 1.0Jan 16, 2007Provider: repository / Type: Initial release
Revision 1.1May 8, 2011Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Jun 23, 2021Group: Data collection / Category: pdbx_nmr_spectrometer

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Assembly

Deposited unit
A: CONKUNITZIN-S2


Theoretical massNumber of molelcules
Total (without water)7,2221
Polymers7,2221
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)20 / -
RepresentativeModel #1

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Components

#1: Protein CONKUNITZIN-S2


Mass: 7221.939 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) CONUS STRIATUS (striated cone)

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR detailsText: NONE

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Sample preparation

Sample conditionsTemperature: 310.0 K

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NMR measurement

NMR spectrometer
TypeManufacturerModelField strength (MHz)Spectrometer-ID
Bruker AMBrukerAM6001
Bruker7002
Bruker9003

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Processing

NMR softwareName: X-PLOR / Developer: BRUNGER / Classification: refinement
RefinementMethod: FASTNMR / Software ordinal: 1
NMR ensembleConformers submitted total number: 20

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