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Yorodumi- PDB-1psv: COMPUTATIONALLY DESIGNED PEPTIDE WITH A BETA-BETA-ALPHA FOLD SELE... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1psv | ||||||
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Title | COMPUTATIONALLY DESIGNED PEPTIDE WITH A BETA-BETA-ALPHA FOLD SELECTION, NMR, 32 STRUCTURES | ||||||
Components | PDA8D | ||||||
Keywords | DESIGNED PEPTIDE / PROTEIN DESIGN / DEAD END ELIMINATION / BETA-BETA-ALPHA FOLD / SEQUENCE OPTIMIZATION | ||||||
Method | SOLUTION NMR / HYBRID DISTANCE GEOMETRY-SIMULATED ANNEALING | ||||||
Authors | Dahiyat, B.I. / Sarisky, C.A. / Mayo, S.L. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 1997 Title: De novo protein design: towards fully automated sequence selection. Authors: Dahiyat, B.I. / Sarisky, C.A. / Mayo, S.L. #1: Journal: Science / Year: 1997 Title: De Novo Protein Design: Fully Automated Sequence Selection Authors: Dahiyat, B.I. / Mayo, S.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1psv.cif.gz | 296.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1psv.ent.gz | 247.3 KB | Display | PDB format |
PDBx/mmJSON format | 1psv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1psv_validation.pdf.gz | 353.1 KB | Display | wwPDB validaton report |
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Full document | 1psv_full_validation.pdf.gz | 562.2 KB | Display | |
Data in XML | 1psv_validation.xml.gz | 20.9 KB | Display | |
Data in CIF | 1psv_validation.cif.gz | 33 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ps/1psv ftp://data.pdbj.org/pub/pdb/validation_reports/ps/1psv | HTTPS FTP |
-Related structure data
Similar structure data |
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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/peptide | Mass: 3368.819 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: SEQUENCE SELECTED BY DEAD END ELIMINATION |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||
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NMR experiment |
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-Sample preparation
Sample conditions | pH: 5.0 / Temperature: 280 K |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITYPLUS 600 / Manufacturer: Varian / Model: UNITYPLUS 600 / Field strength: 600 MHz |
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-Processing
Software |
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NMR software |
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Refinement | Method: HYBRID DISTANCE GEOMETRY-SIMULATED ANNEALING / Software ordinal: 1 / Details: SEE JRNL CITATION ABOVE. | ||||||||||||
NMR ensemble | Conformer selection criteria: NO RESTRAINT VIOLATIONS GREATER THAN 0.3 ANGSTROMS, RMS DEVIATIONS FROM IDEALIZED BOND LENGTHS < 0.01 A, AND RMS DEVIATIONS FROM IDEALIZED ANGLES AND IMPROPERS < 1.0 DEGREE Conformers calculated total number: 98 / Conformers submitted total number: 32 |