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- PDB-2h3s: cis-Azobenzene-avian pancreatic polypeptide bound to DPC micelles -
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Open data
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Basic information
Entry | Database: PDB / ID: 2h3s | ||||||
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Title | cis-Azobenzene-avian pancreatic polypeptide bound to DPC micelles | ||||||
![]() | (Pancreatic hormone) x 2 | ||||||
![]() | DE NOVO PROTEIN / PP folding / photoswitch | ||||||
Function / homology | ![]() neuropeptide Y receptor binding / neuropeptide hormone activity / feeding behavior / neuropeptide signaling pathway / extracellular space Similarity search - Function | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
![]() | Jurt, S. / Aemissegger, A. / Guentert, P. / Zerbe, O. / Hilvert, D. | ||||||
![]() | ![]() Title: A Photoswitchable Miniprotein Based on the Sequence of Avian Pancreatic Polypeptide Authors: Jurt, S. / Aemissegger, A. / Guentert, P. / Zerbe, O. / Hilvert, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 226.7 KB | Display | ![]() |
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PDB format | ![]() | 197.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 424.3 KB | Display | ![]() |
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Full document | ![]() | 566.7 KB | Display | |
Data in XML | ![]() | 13.8 KB | Display | |
Data in CIF | ![]() | 22.7 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: 902.948 Da / Num. of mol.: 1 / Fragment: Pancreatic hormone, residues 1-9 / Source method: obtained synthetically Details: synthesized by solid-phase peptide synthesis, homologous to avian pancreatic polypeptide; residues 10-12 of aPP are replaced by 4-aminomethyl-phenylazobenzoic acid. References: UniProt: P68249 |
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#2: Protein/peptide | Mass: 3054.441 Da / Num. of mol.: 1 / Fragment: Pancreatic hormone, residues 11-34 / Source method: obtained synthetically Details: synthesized by solid-phase peptide synthesis, homologous to avian pancreatic polypeptide References: UniProt: P68249 |
#3: Chemical | ChemComp-ZAB / ( |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using standard 2D homonuclear techniques. |
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Sample preparation
Details | Contents: 2mM cis-Azo-aPP; 300mM DPC; 50mM MES buffer(pH 6.0); 90% H2O, 10% D2O Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 0 / pH: 6.0 / Pressure: AMBIENT / Temperature: 310 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 700 MHz |
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Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry, structures with favorable non-bond energy, structures with the least restraint violations, structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |