+Open data
-Basic information
Entry | Database: PDB / ID: 5kkm | ||||||
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Title | Con-Vc11-22 | ||||||
Components | O2_contryphan_Vc1 prepropeptide | ||||||
Keywords | UNKNOWN FUNCTION / Single disulfide-directed beta hairpin / contryphan-Vc1 / stability / peptide scaffold | ||||||
Function / homology | extracellular region / O2 contryphan Vc1 Function and homology information | ||||||
Biological species | Conus victoriae (invertebrata) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Chittoor, B. / Krishnarjuna, B. / MacRaild, C.A. / Robinson, S.D. | ||||||
Citation | Journal: Biochemistry / Year: 2017 Title: The Single Disulfide-Directed beta-Hairpin Fold. Dynamics, Stability, and Engineering. Authors: Chittoor, B. / Krishnarjuna, B. / Morales, R.A.V. / MacRaild, C.A. / Sadek, M. / Leung, E.W.W. / Robinson, S.D. / Pennington, M.W. / Norton, R.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5kkm.cif.gz | 119.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5kkm.ent.gz | 84.4 KB | Display | PDB format |
PDBx/mmJSON format | 5kkm.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5kkm_validation.pdf.gz | 390.8 KB | Display | wwPDB validaton report |
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Full document | 5kkm_full_validation.pdf.gz | 460.3 KB | Display | |
Data in XML | 5kkm_validation.xml.gz | 9.9 KB | Display | |
Data in CIF | 5kkm_validation.cif.gz | 14.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/kk/5kkm ftp://data.pdbj.org/pub/pdb/validation_reports/kk/5kkm | HTTPS FTP |
-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 2484.871 Da / Num. of mol.: 1 / Fragment: residues 68-89 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Conus victoriae (invertebrata) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 / References: UniProt: W4VSF6 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution / Contents: 500 uM Con-Vc1R, 93% H2O/7% D2O / Details: 500uM / Label: Con-Vc1R / Solvent system: 93% H2O/7% D2O |
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Sample | Conc.: 500 uM / Component: Con-Vc1R / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 0 mM / Label: Condition_1 / pH: 4 / Pressure: 1 atm / Temperature: 293 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |