+Open data
-Basic information
Entry | Database: PDB / ID: 6u7q | ||||||
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Title | NMR solution structure of SFTI-R10 | ||||||
Components | GLY-ARG-CYS-THR-LYS-SER-ILE-PRO-PRO-ARG-CYS-PHE-PRO-ASP inhibitor | ||||||
Keywords | BIOSYNTHETIC PROTEIN / Inhibitor | ||||||
Function / homology | negative regulation of endopeptidase activity / endopeptidase inhibitor activity / serine-type endopeptidase inhibitor activity / protease binding / Trypsin inhibitor 1 Function and homology information | ||||||
Biological species | Helianthus annuus (common sunflower) | ||||||
Method | SOLUTION NMR / simulated annealing / torsion angle dynamics | ||||||
Authors | White, A.M. / Harvey, P.J. / Durek, T. / Craik, D.J. | ||||||
Funding support | Australia, 1items
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Citation | Journal: Angew.Chem.Int.Ed.Engl. / Year: 2020 Title: Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Authors: White, A.M. / de Veer, S.J. / Wu, G. / Harvey, P.J. / Yap, K. / King, G.J. / Swedberg, J.E. / Wang, C.K. / Law, R.H.P. / Durek, T. / Craik, D.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6u7q.cif.gz | 77.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6u7q.ent.gz | 53.8 KB | Display | PDB format |
PDBx/mmJSON format | 6u7q.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6u7q_validation.pdf.gz | 476.9 KB | Display | wwPDB validaton report |
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Full document | 6u7q_full_validation.pdf.gz | 563.5 KB | Display | |
Data in XML | 6u7q_validation.xml.gz | 9.7 KB | Display | |
Data in CIF | 6u7q_validation.cif.gz | 13.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u7/6u7q ftp://data.pdbj.org/pub/pdb/validation_reports/u7/6u7q | HTTPS FTP |
-Related structure data
Related structure data | 6q1uC 6u22C 6u24C 6u7rC 6u7sC 6u7uC 6u7wC 6u7xC 6vxyC 6vy8C C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1579.865 Da / Num. of mol.: 1 / Mutation: I10R / Source method: obtained synthetically / Source: (synth.) Helianthus annuus (common sunflower) / References: UniProt: Q4GWU5 |
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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: 1.5 mM SFTI-R10, 90% H2O/10% D2O / Label: SFTI-R10 / Solvent system: 90% H2O/10% D2O | ||||||||||||||||||
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Sample | Conc.: 1.5 mM / Component: SFTI-R10 / Isotopic labeling: natural abundance | ||||||||||||||||||
Sample conditions |
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-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement |
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NMR representative | Selection criteria: medoid | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |