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Yorodumi- PDB-2n4e: Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, N... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2n4e | ||||||
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Title | Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 | ||||||
Components | OR34 | ||||||
Keywords | Structural Genomics / De Novo Protein / Protein NMR / NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) / Target OR34 / Top 7 fold / PSI-Biology / Protein Structure Initiative | ||||||
Function / homology | top7, de novo designed protein / top7, de novo designed protein / 2-Layer Sandwich / Alpha Beta Function and homology information | ||||||
Biological species | Synthetic (others) | ||||||
Method | SOLUTION NMR / distance geometry, simulated annealing, molecular dynamics, null | ||||||
Model details | lowest energy, model1 | ||||||
Authors | Liu, G. / Chan, K. / Basanta, B. / Xiao, R. / Janjua, H. / Kogan, S. / Maglaqui, M. / Ciccosanti, C. / Acton, T.B. / Kornhaber, G. ...Liu, G. / Chan, K. / Basanta, B. / Xiao, R. / Janjua, H. / Kogan, S. / Maglaqui, M. / Ciccosanti, C. / Acton, T.B. / Kornhaber, G. / Everett, J.K. / Baker, D. / Montelione, G.T. / Northeast Structural Genomics Consortium (NESG) | ||||||
Citation | Journal: To be Published Title: Solution NMR Structure of DE NOVO DESIGNED PROTEIN Top7NNSTYCC, Northeast Structural Genomics Consortium (NESG) Target OR34 Authors: Liu, G. / Chan, K. / Basanta, B. / Xiao, R. / Janjua, H. / Kogan, S. / Maglaqui, M. / Ciccosanti, C. / Acton, T.B. / Kornhaber, G. / Everett, J.K. / Baker, D. / Montelione, G.T. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2n4e.cif.gz | 748.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2n4e.ent.gz | 657.7 KB | Display | PDB format |
PDBx/mmJSON format | 2n4e.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2n4e_validation.pdf.gz | 335.4 KB | Display | wwPDB validaton report |
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Full document | 2n4e_full_validation.pdf.gz | 419.8 KB | Display | |
Data in XML | 2n4e_validation.xml.gz | 29.6 KB | Display | |
Data in CIF | 2n4e_validation.cif.gz | 52.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/n4/2n4e ftp://data.pdbj.org/pub/pdb/validation_reports/n4/2n4e | 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 | Mass: 12146.514 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Synthetic (others) / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pMgK |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 0.369 mM [U-100% 13C; U-100% 15N] or34.018, 5 mM DTT, 100 mM NaCl, 10 mM Tris-HCl pH 7.5, 0.02 % NaN3, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O | ||||||||||||||||||||||||
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Sample |
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Sample conditions | pH: 6.5 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: distance geometry, simulated annealing, molecular dynamics, null Software ordinal: 1 / Details: null, null | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 100 / Conformers submitted total number: 20 |