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Yorodumi- PDB-2mvu: Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carri... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2mvu | ||||||
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Title | Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor | ||||||
Components | Actinorhodin polyketide synthase acyl carrier protein | ||||||
Keywords | BIOSYNTHETIC PROTEIN / Actinorhodin / ACP / biosynthetic intermediates / ligand recognition | ||||||
Function / homology | Function and homology information lipid A biosynthetic process / acyl binding / antibiotic biosynthetic process / acyl carrier activity / cytosol Similarity search - Function | ||||||
Biological species | Streptomyces coelicolor (bacteria) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Dong, X. / Bailey, C. / Williams, C. / Crosby, J. / Simpson, T.J. / Willis, C.L. / Crump, M.P. | ||||||
Citation | Journal: To be Published Title: ACP-ligand recognition: Selection of derivatized aromatic biosynthetic intermediates Authors: Dong, X. / Bailey, C. / Williams, C. / Crosby, J. / Simpson, T.J. / Willis, C.L. / Crump, M.P. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2mvu.cif.gz | 571.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2mvu.ent.gz | 505.5 KB | Display | PDB format |
PDBx/mmJSON format | 2mvu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mv/2mvu ftp://data.pdbj.org/pub/pdb/validation_reports/mv/2mvu | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 9239.177 Da / Num. of mol.: 1 / Mutation: C17S Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces coelicolor (bacteria) / Strain: ATCC BAA-471 / A3(2) / M145 Gene: Actinorhodin Acyl Carrier protein, SCBAC28G1.15, SCO5089 Plasmid: pET 11c / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: Q02054 |
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#2: Chemical | ChemComp-SDO / |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details | Contents: 1-2 mM [U-98% 13C; U-98% 15N] protein, 20 mM potassium phosphate, 95% H2O/5% D2O Solvent system: 95% H2O/5% D2O | ||||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 0 / pH: 5.5 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Agilent Unity / Manufacturer: Agilent / Model: UNITY / Field strength: 600 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: 20 LOWEST ENERGY STRUCTURES WERE FURTHER REFINED IN EXPLICIT WATER USING THE RECOORD PROTOCOL | ||||||||||||||||||||||||||||||||||||||||
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 |