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- PDB-5kpe: Solution NMR Structure of Denovo Beta Sheet Design Protein, North... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5kpe | ||||||
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Title | Solution NMR Structure of Denovo Beta Sheet Design Protein, Northeast Structural Genomics Consortium (NESG) Target OR664 | ||||||
![]() | De novo Beta Sheet Design Protein OR664 | ||||||
![]() | DE NOVO PROTEIN / Structural Genomics / PSI-Biology / Northeast Structural Genomics Consortium / NESG | ||||||
Biological species | synthetic construct (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Tang, Y. / Liu, G. / Baker, D. / Montelione, G.T. / Northeast Structural Genomics Consortium (NESG) | ||||||
Funding support | ![]()
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![]() | ![]() Title: Principles for designing proteins with cavities formed by curved beta sheets. Authors: Marcos, E. / Basanta, B. / Chidyausiku, T.M. / Tang, Y. / Oberdorfer, G. / Liu, G. / Swapna, G.V. / Guan, R. / Silva, D.A. / Dou, J. / Pereira, J.H. / Xiao, R. / Sankaran, B. / Zwart, P.H. / ...Authors: Marcos, E. / Basanta, B. / Chidyausiku, T.M. / Tang, Y. / Oberdorfer, G. / Liu, G. / Swapna, G.V. / Guan, R. / Silva, D.A. / Dou, J. / Pereira, J.H. / Xiao, R. / Sankaran, B. / Zwart, P.H. / Montelione, G.T. / Baker, 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 | ![]() | 840.6 KB | Display | ![]() |
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PDB format | ![]() | 718.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 535.1 KB | Display | ![]() |
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Full document | ![]() | 720 KB | Display | |
Data in XML | ![]() | 72.6 KB | Display | |
Data in CIF | ![]() | 72.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5kphC ![]() 5l33C ![]() 5tphC ![]() 5tpjC ![]() 5trvC ![]() 5ts4C ![]() 5u35C 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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1 |
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NMR ensembles |
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Details | Monomer as determined by light scattering. |
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Components
#1: Protein | Mass: 13593.999 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Production host: ![]() ![]() |
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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: 1.27 mM [U-99% 13C; U-99% 15N] OR664, 90% H2O/10% D2O Details: NC label samples, PBS (no DTT) - / Label: OR664.006 / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1.27 mM / Component: OR664 / Isotopic labeling: [U-99% 13C; U-99% 15N] |
Sample conditions | Details: PBS buffer: 137 mM NaCl 2.7 mM KCl 10 mM Na2HPO4 1.8 mM KH2PO4 pH 7.4 Ionic strength: 140 mM / Ionic strength err: 1 / Label: conditions_1 / pH: 7.4 / PH err: 0.05 / Pressure: 1 atm / Pressure err: 0.01 / Temperature: 298 K / Temperature err: 0.2 |
-NMR measurement
NMR spectrometer | Type: Bruker AVENCE / Manufacturer: Bruker / Model: AVENCE / Field strength: 800 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | |||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 |