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- PDB-1lqq: ANTI-MAMMAL AND ANTI-INSECT LQQIII SCORPION TOXIN, NMR, 15 STRUCTURES -

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Basic information

Entry
Database: PDB / ID: 1lqq
TitleANTI-MAMMAL AND ANTI-INSECT LQQIII SCORPION TOXIN, NMR, 15 STRUCTURES
ComponentsLQQIII
KeywordsNEUROTOXIN / LQQIII / SCORPION TOXIN / CSALPHA-BETA MOTIF / SODIUM CHANNEL INHIBITOR
Function / homology
Function and homology information


sodium channel inhibitor activity / defense response / toxin activity / extracellular region
Similarity search - Function
Scorpion long chain toxin / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain profile. / Scorpion long chain toxin/defensin / Scorpion toxin-like domain / Knottins / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like ...Scorpion long chain toxin / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain / LCN-type cysteine-stabilized alpha/beta (CS-alpha/beta) domain profile. / Scorpion long chain toxin/defensin / Scorpion toxin-like domain / Knottins / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like / Knottin, scorpion toxin-like superfamily / Defensin A-like / 2-Layer Sandwich / Alpha Beta
Similarity search - Domain/homology
Alpha-insect toxin Lqq3
Similarity search - Component
Biological speciesLeiurus quinquestriatus quinquestriatus (Egyptian scorpion)
MethodSOLUTION NMR / simulated annealing
AuthorsLandon, C. / Sodano, P. / Vovelle, F. / Ptak, M.
Citation
Journal: Eur.J.Biochem. / Year: 1996
Title: 1H-NMR-derived secondary structure and the overall fold of the potent anti-mammal and anti-insect toxin III from the scorpion Leiurus quinquestriatus quinquestriatus.
Authors: Landon, C. / Cornet, B. / Bonmatin, J.M. / Kopeyan, C. / Rochat, H. / Vovelle, F. / Ptak, M.
#1: Journal: Proteins / Year: 1997
Title: Refined Solution Structure of the Anti-Mammal and Anti-Insect Lqqiii Scorpion Toxin: Comparison with Other Scorpion Toxins
Authors: Landon, C. / Sodano, P. / Cornet, B. / Bonmatin, J.M. / Kopeyan, C. / Rochat, H. / Vovelle, F. / Ptak, M.
#2: Journal: Nat.Toxins / Year: 1993
Title: Characterization of Toxin III of the Scorpion Leiurus Quinquestriatus Quinquestriatus: A New Type of Alpha-Toxin Highly Toxic Both to Mammals and Insects
Authors: Kopeyan, C. / Mansuelle, P. / Martin-Eauclaire, M.F. / Rochat, H. / Miranda, F.
History
DepositionMay 18, 1997Processing site: BNL
Revision 1.0May 20, 1998Provider: repository / Type: Initial release
Revision 1.1Mar 24, 2008Group: Version format compliance
Revision 1.2Jul 13, 2011Group: Version format compliance
Revision 1.3Feb 23, 2022Group: Database references / Derived calculations / Other
Category: database_2 / pdbx_database_status ...database_2 / pdbx_database_status / pdbx_struct_assembly / pdbx_struct_oper_list
Item: _database_2.pdbx_DOI / _database_2.pdbx_database_accession / _pdbx_database_status.process_site
Revision 1.4Oct 16, 2024Group: Data collection / Structure summary
Category: chem_comp_atom / chem_comp_bond ...chem_comp_atom / chem_comp_bond / pdbx_entry_details / pdbx_modification_feature

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

Downloads & links

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Assembly

Deposited unit
A: LQQIII


Theoretical massNumber of molelcules
Total (without water)7,2481
Polymers7,2481
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)15 / 30LEAST RESTRAINT VIOLATIONS, LEAST RESIDUAL DEVIATIONS FROM IDEALIZED GEOMETRY
Representative

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Components

#1: Protein LQQIII


Mass: 7248.186 Da / Num. of mol.: 1 / Source method: isolated from a natural source
Source: (natural) Leiurus quinquestriatus quinquestriatus (Egyptian scorpion)
Species: Leiurus quinquestriatus / Strain: quinquestriatus / References: UniProt: P01487
Has protein modificationY

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Experimental details

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Experiment

ExperimentMethod: SOLUTION NMR
NMR experiment
Conditions-IDExperiment-IDSolution-IDType
111COSY
121TOCSY
131NOESY

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Sample preparation

Sample conditionspH: 4.2 / Temperature: 310 K
Crystal grow
*PLUS
Method: other / Details: NMR

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NMR measurement

NMR spectrometerType: Bruker AMX500 / Manufacturer: Bruker / Model: AMX500 / Field strength: 500 MHz

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Processing

Software
NameClassification
X-PLORmodel building
X-PLORrefinement
X-PLORphasing
NMR software
NameVersionDeveloperClassification
X-PLORBRUNGERrefinement
BRUKER UXNMRUXNMRstructure solution
RefinementMethod: simulated annealing / Software ordinal: 1
NMR ensembleConformer selection criteria: LEAST RESTRAINT VIOLATIONS, LEAST RESIDUAL DEVIATIONS FROM IDEALIZED GEOMETRY
Conformers calculated total number: 30 / Conformers submitted total number: 15

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