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- PDB-8qpy: Solution NMR structure of the peptidyl carrier domain TomAPCP fro... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8qpy | ||||||
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Title | Solution NMR structure of the peptidyl carrier domain TomAPCP from the Tomaymycin non-ribosomal peptide synthetase | ||||||
![]() | Carrier protein TomAPCP | ||||||
![]() | BIOSYNTHETIC PROTEIN / Non-ribosomal peptide synthetase / Tomaymycin / PCP / phosphopantetheine / Donor | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing / torsion angle dynamics / molecular dynamics | ||||||
![]() | Karanth, M.N. / Kirkpatrick, J.P. / Carlomagno, T. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The specificity of intermodular recognition in a prototypical nonribosomal peptide synthetase depends on an adaptor domain. Authors: Karanth, M.N. / Kirkpatrick, J.P. / Krausze, J. / Schmelz, S. / Scrima, A. / Carlomagno, T. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 285.4 KB | Display | ![]() |
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PDB format | ![]() | 235.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 553.7 KB | Display | ![]() |
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Full document | ![]() | 854.5 KB | Display | |
Data in XML | ![]() | 55.9 KB | Display | |
Data in CIF | ![]() | 64.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8qnfC ![]() 8qrxC ![]() 8qsxC ![]() 8rz6C C: citing same article ( |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 10380.378 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: First four residues (GPMA) in the protein are from cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-3', so that the ...Details: First four residues (GPMA) in the protein are from cloning artifacts. Therefore, the appropriate residue numbering has the first residue (G) designated as residue-number '-3', so that the fifth residue has residue-number '1'. A special modified residue SPP is designated for the serine residue covalently linked to a 4'-phosphopantetheine prosthetic group. Source: (gene. exp.) ![]() ![]() ![]() |
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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
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Sample |
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Sample conditions | Ionic strength: 265 mM / Label: conditions_1 / pH: 7 / Pressure: 1 atm / Temperature: 308 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement |
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NMR representative | Selection criteria: closest to the average | ||||||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 |