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Yorodumi- PDB-5wpx: Solution Structure of KstB-PCP loaded with nicotinic acid in kosi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5wpx | ||||||
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Title | Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis | ||||||
Components | Peptidyl carrier protein | ||||||
Keywords | TRANSPORT PROTEIN / NRPS / PCP / nicotinic acid / solution structure | ||||||
Function / homology | Phosphopantetheine attachment site / ACP-like superfamily / Carrier protein (CP) domain profile. / Phosphopantetheine binding ACP domain / Chem-7V9 / Peptidyl carrier protein Function and homology information | ||||||
Biological species | Micromonospora sp. TP-A0468 (bacteria) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Zhao, B. / Lan, W. / Tang, G. / Cao, C. | ||||||
Citation | Journal: To Be Published Title: Solution Structure of KstB-PCP loaded with nicotinic acid in kosinostatin biosynthesis Authors: Zhao, B. / Lan, W. / Tang, G. / Cao, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5wpx.cif.gz | 542.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5wpx.ent.gz | 457.4 KB | Display | PDB format |
PDBx/mmJSON format | 5wpx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 5wpx_validation.pdf.gz | 615.5 KB | Display | wwPDB validaton report |
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Full document | 5wpx_full_validation.pdf.gz | 954.7 KB | Display | |
Data in XML | 5wpx_validation.xml.gz | 100.8 KB | Display | |
Data in CIF | 5wpx_validation.cif.gz | 88.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wp/5wpx ftp://data.pdbj.org/pub/pdb/validation_reports/wp/5wpx | HTTPS FTP |
-Related structure data
Similar structure data | |
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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: 9664.883 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Micromonospora sp. TP-A0468 (bacteria) / Production host: Escherichia coli (E. coli) / References: UniProt: A0A023GUP0 |
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#2: Chemical | ChemComp-7V9 / ~{ |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Type: solution Contents: 1 mM [U-99% 15N,U-99% 13C] nicotinyl-KstB-PCP, 80 mM sodium phosphate, 50 mM NaCl, 90% H2O/10% D2O Label: 15N_13C_nicotinyl-KstB-PCP / Solvent system: 90% H2O/10% D2O | ||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 130 mM / Label: condition_1 / pH: 7 / Pressure: 1 atm / Temperature: 293 K |
-NMR measurement
NMR spectrometer | Type: Varian INOVA / Manufacturer: Varian / Model: INOVA / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||
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: 20 |