+Open data
-Basic information
Entry | Database: PDB / ID: 2p0x | ||||||
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Title | solution structure of a non-biological ATP-binding protein | ||||||
Components | abiotic ATP-binding, folding optimized protein | ||||||
Keywords | DE NOVO PROTEIN / alpha/beta fold / treble clef zinc binding motif | ||||||
Function / homology | ADENOSINE-5'-TRIPHOSPHATE Function and homology information | ||||||
Biological species | synthetic gene (others) | ||||||
Method | SOLUTION NMR / hybrid distance geometry - simulated annealing | ||||||
Authors | Mansy, S.S. / Szostak, J.W. / Chaput, J.C. | ||||||
Citation | Journal: J.Mol.Biol. / Year: 2007 Title: Structure and Evolutionary Analysis of a Non-biological ATP-binding Protein Authors: Mansy, S.S. / Zhang, J. / Kummerle, R. / Nilsson, M. / Chou, J.J. / Szostak, J.W. / Chaput, J.C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2p0x.cif.gz | 434 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2p0x.ent.gz | 354.7 KB | Display | PDB format |
PDBx/mmJSON format | 2p0x.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2p0x_validation.pdf.gz | 459 KB | Display | wwPDB validaton report |
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Full document | 2p0x_full_validation.pdf.gz | 620.9 KB | Display | |
Data in XML | 2p0x_validation.xml.gz | 42.7 KB | Display | |
Data in CIF | 2p0x_validation.cif.gz | 61.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/p0/2p0x ftp://data.pdbj.org/pub/pdb/validation_reports/p0/2p0x | 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 | Mass: 7527.653 Da / Num. of mol.: 1 / Mutation: C58A Source method: isolated from a genetically manipulated source Source: (gene. exp.) synthetic gene (others) Description: synthetic gene, abiotic protein selected by mRNA-display Plasmid: pIADL14 / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) |
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#2: Chemical | ChemComp-ZN / |
#3: Chemical | ChemComp-ATP / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 0.3 mM folding optimized protein U-15N,13C; 10 mM sodium phosphate, 50 mM KCl, 0.5 mM ATP, pH 6.5; 90% H2O, 10% D2O Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 0.064 M / pH: 6.5 / Pressure: ambient / Temperature: 296 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: hybrid distance geometry - simulated annealing / Software ordinal: 1 Details: 673 distance restraints, 60 dihedral angle restraints | ||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 20 |