[English] 日本語
Yorodumi- PDB-6ba3: NMR structure of U21-hexatoxin-Hi1a toxin from Australian Funnel-... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ba3 | ||||||
---|---|---|---|---|---|---|---|
Title | NMR structure of U21-hexatoxin-Hi1a toxin from Australian Funnel-web spider Hadronyche infensa | ||||||
Components | U21-hexatoxin-Hi1a | ||||||
Keywords | TOXIN / Spider toxin Inhibitor cystine knot | ||||||
Function / homology | Cystine knot toxin / Cystine knot toxins / toxin activity / extracellular region / U21-hexatoxin-Hi1a Function and homology information | ||||||
Biological species | Hadronyche infensa (spider) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Chin, Y.K.-Y. / Pineda, S.S. / King, G.F. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2020 Title: Structural venomics reveals evolution of a complex venom by duplication and diversification of an ancient peptide-encoding gene. Authors: Pineda, S.S. / Chin, Y.K. / Undheim, E.A.B. / Senff, S. / Mobli, M. / Dauly, C. / Escoubas, P. / Nicholson, G.M. / Kaas, Q. / Guo, S. / Herzig, V. / Mattick, J.S. / King, G.F. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 6ba3.cif.gz | 487.4 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb6ba3.ent.gz | 419.5 KB | Display | PDB format |
PDBx/mmJSON format | 6ba3.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6ba3_validation.pdf.gz | 423.8 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 6ba3_full_validation.pdf.gz | 512.1 KB | Display | |
Data in XML | 6ba3_validation.xml.gz | 21.8 KB | Display | |
Data in CIF | 6ba3_validation.cif.gz | 36.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ba/6ba3 ftp://data.pdbj.org/pub/pdb/validation_reports/ba/6ba3 | HTTPS FTP |
-Related structure data
Related structure data | 2n6nC 2n6rC 2n8kC C: citing same article (ref.) |
---|---|
Similar structure data | |
Other databases |
|
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
#1: Protein | Mass: 8197.243 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hadronyche infensa (spider) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A452CSQ9*PLUS |
---|
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
|
-Sample preparation
Details | Type: solution Contents: 20 mM Sodium citrate, 5 % D2O, 300 uM [U-99% 13C; U-99% 15N] sf26, 95% H2O/5% D2O Label: sf26 / Solvent system: 95% H2O/5% D2O | ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sample |
| ||||||||||||||||
Sample conditions | Ionic strength: 20 mM / Label: 1 / pH: 4 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
|
---|
-Processing
NMR software |
| |||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: torsion angle dynamics / Software ordinal: 2 | |||||||||||||||||||||||||||
NMR representative | Selection criteria: target function | |||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: Cyana target function and stereochemical properties by Molprobity Conformers calculated total number: 30 / Conformers submitted total number: 20 |