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Yorodumi- PDB-7bqe: Solution NMR structure of NF3; de novo designed protein with a no... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7bqe | ||||||||||||||||||
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Title | Solution NMR structure of NF3; de novo designed protein with a novel fold | ||||||||||||||||||
Components | NF3 | ||||||||||||||||||
Keywords | DE NOVO PROTEIN / de novo designed protein | ||||||||||||||||||
Biological species | synthetic construct (others) | ||||||||||||||||||
Method | SOLUTION NMR / molecular dynamics | ||||||||||||||||||
Authors | Kobayashi, N. / Sugiki, T. / Fujiwara, T. / Minami, S. / Koga, R. / Chikenji, G. / Koga, N. | ||||||||||||||||||
Funding support | Japan, 5items
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Citation | Journal: Nat.Struct.Mol.Biol. / Year: 2023 Title: Exploration of novel alpha-beta-protein folds through de novo design Authors: Minami, S. / Kobayashi, N. / Sugiki, T. / Nagashima, T. / Fujiwara, T. / Koga, R. / Chikenji, G. / Koga, N. | ||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7bqe.cif.gz | 716.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7bqe.ent.gz | 600.9 KB | Display | PDB format |
PDBx/mmJSON format | 7bqe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7bqe_validation.pdf.gz | 460 KB | Display | wwPDB validaton report |
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Full document | 7bqe_full_validation.pdf.gz | 572.7 KB | Display | |
Data in XML | 7bqe_validation.xml.gz | 35.6 KB | Display | |
Data in CIF | 7bqe_validation.cif.gz | 58.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bq/7bqe ftp://data.pdbj.org/pub/pdb/validation_reports/bq/7bqe | HTTPS FTP |
-Related structure data
Related structure data | 7bplC 7bpmC 7bpnC 7bppC 7bqbC 7bqcC 7bqdC 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: 12997.888 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic construct (others) / 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: 58.5 mM / Label: NF3 / pH: 6 / Pressure: 1 atm / Temperature: 303 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III / Manufacturer: Bruker / Model: AVANCE III / Field strength: 800 MHz |
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-Processing
NMR software |
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Refinement | Method: molecular dynamics / Software ordinal: 8 | ||||||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: target function | ||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: target function / Conformers calculated total number: 200 / Conformers submitted total number: 20 |