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Open data
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Basic information
Entry | Database: PDB / ID: 2ksl | ||||||
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Title | Structure of the insecticidal toxin TaITX-1 | ||||||
![]() | U1-agatoxin-Ta1a | ||||||
![]() | TOXIN / insecticidal toxin / spider toxin / neurotoxin / crustacean hyperglycemic hormone / molt-inhibiting hormone / Disulfide bond / Secreted | ||||||
Function / homology | Crustacean CHH/MIH/GIH neurohormone - #20 / Crustacean CHH/MIH/GIH neurohormone / toxin activity / Orthogonal Bundle / extracellular region / Mainly Alpha / U1-agatoxin-Ta1a![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Model details | BEST MOLPROBITY SCORE, model 1 | ||||||
![]() | Mobli, M. / King, G.F. | ||||||
![]() | ![]() Title: Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators Authors: Undheim, E.A. / Grimm, L.L. / Low, C.F. / Morgenstern, D. / Herzig, V. / Zobel-Thropp, P. / Pineda, S.S. / Habib, R. / Dziemborowicz, S. / Fry, B.G. / Nicholson, G.M. / Binford, G.J. / Mobli, M. / King, G.F. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 365 KB | Display | ![]() |
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PDB format | ![]() | 314.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 332.2 KB | Display | ![]() |
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Full document | ![]() | 360.7 KB | Display | |
Data in XML | ![]() | 16 KB | Display | |
Data in CIF | ![]() | 27.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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 | Mass: 5781.391 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Description: The toxin was produced by overexpression in the periplasm of Escherichia coli. Gene: ITX1 / Production host: ![]() ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: Structure of the insecticidal neurotoxin TaITX-1 determined using heteronuclear NMR | ||||||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: Mixing times were 200 ms (3D NOESY) and 12 ms (4D HCC(CO)NH). |
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Sample preparation
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Sample |
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Sample conditions | Ionic strength: 1 / pH: 4.4 / Pressure: AMBIENT / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker Avance / Manufacturer: Bruker / Model: Avance / Field strength: 900 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||
NMR constraints | NOE constraints total: 574 / NOE intraresidue total count: 183 / NOE long range total count: 88 / NOE medium range total count: 137 / NOE sequential total count: 166 / Disulfide bond constraints total count: 9 / Hydrogen bond constraints total count: 36 / Protein chi angle constraints total count: 20 / Protein other angle constraints total count: 0 / Protein phi angle constraints total count: 37 / Protein psi angle constraints total count: 36 | ||||||||||||||||
NMR representative | Selection criteria: best molprobity score | ||||||||||||||||
NMR ensemble | Conformer selection criteria: BEST MOLPROBITY SCORE / Conformers calculated total number: 200 / Conformers submitted total number: 25 / Representative conformer: 1 |