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Open data
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Basic information
Entry | Database: PDB / ID: 6imh | ||||||
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Title | Solution Structure of Bicyclic Peptide pb-18 | ||||||
![]() | (ACE)-GLY-CYS-PRO-CYS-GLU-PRO-SER-TYR-LEU-CYS-PRO-TRP-LEU-PRO-GLY-CYS-(NH2) | ||||||
![]() | DE NOVO PROTEIN / bicyclic peptide / cystine bridge / proline rich | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / molecular dynamics | ||||||
![]() | Yao, H. / Lin, P. / Zha, J. / Zha, M. / Zhao, Y. / Wu, C. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Ordered and Isomerically Stable Bicyclic Peptide Scaffolds Constrained through Cystine Bridges and Proline Turns. Authors: Lin, P. / Yao, H. / Zha, J. / Zhao, Y. / Wu, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 77.8 KB | Display | ![]() |
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PDB format | ![]() | 58.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 348.3 KB | Display | ![]() |
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Full document | ![]() | 394 KB | Display | |
Data in XML | ![]() | 6.7 KB | Display | |
Data in CIF | ![]() | 10.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6imgC C: citing same article ( |
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Similar structure data | |
Other databases |
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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/peptide | ( Mass: 1749.086 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() |
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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: 0.9 mM pb-18, acetonitrile/water Details: The peptide was dissolved in a mixture of 90% perdeuterated acetonitrile and 10% H2O (pH=1) or D2O (pD=1). Label: NA_pb18 / Solvent system: acetonitrile/water | |||||||||||||||||||||
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Sample | Conc.: 0.9 mM / Component: pb-18 / 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: 850 MHz / Details: TCI cryoprobe |
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Processing
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Refinement | Method: molecular dynamics / Software ordinal: 1 | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |