+Open data
-Basic information
Entry | Database: PDB / ID: 1xy6 | ||||||
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Title | NMR strcutre of sst1-selective somatostatin (SRIF) analog 1 | ||||||
Components | SST1-selective somatosatin analog | ||||||
Keywords | HORMONE/GROWTH FACTOR / Gamma turn / HORMONE-GROWTH FACTOR COMPLEX | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Grace, C.R.R. / Durrer, L. / Koerber, S.C. / Erchegyi, J. / Reubi, J.C. / Rivier, J.E. / Riek, R. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2005 Title: Somatostatin receptor 1 selective analogues: 4. Three-dimensional consensus structure by NMR Authors: Grace, C.R.R. / Durrer, L. / Koerber, S.C. / Erchegyi, J. / Reubi, J.C. / Rivier, J.E. / Riek, R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1xy6.cif.gz | 42 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1xy6.ent.gz | 31.8 KB | Display | PDB format |
PDBx/mmJSON format | 1xy6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1xy6_validation.pdf.gz | 349 KB | Display | wwPDB validaton report |
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Full document | 1xy6_full_validation.pdf.gz | 406.2 KB | Display | |
Data in XML | 1xy6_validation.xml.gz | 6.5 KB | Display | |
Data in CIF | 1xy6_validation.cif.gz | 8.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xy/1xy6 ftp://data.pdbj.org/pub/pdb/validation_reports/xy/1xy6 | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein/peptide | Mass: 1661.982 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: Peptide synthesised using solid phase approach either manually or on a CS-Biopeptide synthesizer Model CS536 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: The structure was determined using standard 2D homonuclear techniques |
-Sample preparation
Details | Contents: 2.5 mM of the peptide / Solvent system: DMSO-d6 |
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Sample conditions | pH: 7.0 / Pressure: Ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 750 MHz |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 Details: The structures are based on 151 distance restraints, 36 angle restraints | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 20 / Conformers submitted total number: 10 |