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Yorodumi- PDB-6o0c: NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L -
+Open data
-Basic information
Entry | Database: PDB / ID: 6o0c | ||||||
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Title | NMR ensemble of computationally designed protein XAA_GVDQ mutant M4L | ||||||
Components | Design construct XAA_GVDQ mutant M4L | ||||||
Keywords | DE NOVO PROTEIN | ||||||
Biological species | synthetic construct (others) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Wei, K.Y. / Moschidi, D. / Nerli, S. / Sgourakis, N. / Baker, D. | ||||||
Funding support | United States, 1items
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Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2020 Title: Computational design of closely related proteins that adopt two well-defined but structurally divergent folds. Authors: Wei, K.Y. / Moschidi, D. / Bick, M.J. / Nerli, S. / McShan, A.C. / Carter, L.P. / Huang, P.S. / Fletcher, D.A. / Sgourakis, N.G. / Boyken, S.E. / Baker, D. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6o0c.cif.gz | 905.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6o0c.ent.gz | 768.6 KB | Display | PDB format |
PDBx/mmJSON format | 6o0c.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/o0/6o0c ftp://data.pdbj.org/pub/pdb/validation_reports/o0/6o0c | HTTPS FTP |
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-Related structure data
Related structure data | 6nx2C 6nxmC 6ny8C 6nyeC 6nyiC 6nykC 6nz1C 6nz3C 6o0iC C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 10973.532 Da / Num. of mol.: 3 / Mutation: M4L Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / Plasmid: pET28b / Production host: Escherichia coli (E. coli) |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions | Ionic strength: 100mM NaCl mM / Label: conditions_k170_MAI(LV)proS / pH: 6.2 / Pressure: 1 atm / Temperature: 310.15 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 800 MHz / Details: TCI cryoprobe |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||
NMR representative | Selection criteria: fewest violations | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: back calculated data agree with experimental NOESY spectrum Conformers calculated total number: 5000 / Conformers submitted total number: 10 |