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Yorodumi- PDB-7tip: Backbone-modified variant of the B domain of Staphylococcal prote... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7tip | |||||||||
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Title | Backbone-modified variant of the B domain of Staphylococcal protein A: beta3-residues in helix 2 | |||||||||
Components | Immunoglobulin G binding protein A | |||||||||
Keywords | DE NOVO PROTEIN | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Staphylococcus aureus (bacteria) | |||||||||
Method | SOLUTION NMR / simulated annealing | |||||||||
Authors | Santhouse, J.R. / Leung, J.M.G. / Chong, L.T. / Horne, W.S. | |||||||||
Funding support | United States, 1items
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Citation | Journal: Chem Sci / Year: 2022 Title: Implications of the unfolded state in the folding energetics of heterogeneous-backbone protein mimetics. Authors: Santhouse, J.R. / Leung, J.M.G. / Chong, L.T. / Horne, W.S. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7tip.cif.gz | 208.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7tip.ent.gz | 173.8 KB | Display | PDB format |
PDBx/mmJSON format | 7tip.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 7tip_validation.pdf.gz | 376.5 KB | Display | wwPDB validaton report |
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Full document | 7tip_full_validation.pdf.gz | 426 KB | Display | |
Data in XML | 7tip_validation.xml.gz | 14.9 KB | Display | |
Data in CIF | 7tip_validation.cif.gz | 21.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ti/7tip ftp://data.pdbj.org/pub/pdb/validation_reports/ti/7tip | HTTPS FTP |
-Related structure data
Related structure data | 7tioC 7tiqC 7tirC 7tisC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
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: Antibody | Mass: 6673.370 Da / Num. of mol.: 1 / Fragment: B domain, residues 185-242 / Mutation: G29A / Source method: obtained synthetically / Source: (synth.) Staphylococcus aureus (bacteria) / References: UniProt: Q2UW31 |
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Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 0.5 mM B Domain of Staphylococcal protein A: beta3-E25, beta3-N27, beta3-Q32, beta3-K35, 0.2 mM DSS, 90% H2O/10% D2O Label: sample_1 / Solvent system: 90% H2O/10% D2O | ||||||||||||
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Sample |
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Sample conditions | Ionic strength: 10 mM / Label: conditions_1 / pH: 5 pH* / Pressure: 1 atm / Temperature: 283 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 700 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 4 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 |