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- PDB-1soc: NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1soc | |||||||||
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Title | NMR STUDY OF THE BACKBONE CONFORMATIONAL EQUILIBRIA OF SANDOSTATIN, MINIMIZED AVERAGE BETA-SHEET STRUCTURE | |||||||||
![]() | SANDOSTATIN | |||||||||
![]() | OCTREOTIDE / SANDOSTATIN | |||||||||
Method | SOLUTION NMR | |||||||||
![]() | Melacini, G. / Zhu, Q. / Goodman, M. | |||||||||
![]() | ![]() Title: Multiconformational NMR analysis of sandostatin (octreotide): equilibrium between beta-sheet and partially helical structures. Authors: Melacini, G. / Zhu, Q. / Goodman, M. #1: ![]() Title: Structure of Octreotide, a Somatostatin Analogue Authors: Pohl, E. / Heine, A. / Sheldrick, G. / Dautner, Z. / Wilson, K.S. / Kallen, J. / Huber, W. / Pfaffli, P.J. | |||||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 9.1 KB | Display | ![]() |
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PDB format | ![]() | 4.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 281.9 KB | Display | ![]() |
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Full document | ![]() | 281.7 KB | Display | |
Data in XML | ![]() | 1.5 KB | Display | |
Data in CIF | ![]() | 1.4 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/peptide | Mass: 1022.263 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: DONATED BY SANDOZ. IT INCLUDES THE ACTIVE SEQUENCE OF SOMATOSTATIN PHE-TRP-LYS-THR |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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NMR details | Text: DMSO-D6 |
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Sample preparation
Sample conditions | Temperature: 300 K |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Bruker AMX 500 / Manufacturer: Bruker / Model: AMX 500 / Field strength: 500 MHz |
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Processing
NMR software | Name: Discover / Developer: BIOSYM / Classification: refinement |
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Refinement | Software ordinal: 1 Details: CVFF FORCE FIELD (USED BY DISCOVER) DGII ALSO WAS USED. |
NMR ensemble | Conformers calculated total number: 29 / Conformers submitted total number: 1 |