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- PDB-2mvu: Solution Structure of the 3,7-dioxo-octyl Actinorhodin Acyl Carri... -
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Open data
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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 | ||||||
![]() | Actinorhodin polyketide synthase acyl carrier protein | ||||||
![]() | BIOSYNTHETIC PROTEIN / Actinorhodin / ACP / biosynthetic intermediates / ligand recognition | ||||||
Function / homology | ![]() lipid A biosynthetic process / acyl binding / antibiotic biosynthetic process / acyl carrier activity / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Dong, X. / Bailey, C. / Williams, C. / Crosby, J. / Simpson, T.J. / Willis, C.L. / Crump, M.P. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 571.2 KB | Display | ![]() |
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PDB format | ![]() | 505.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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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: 9239.177 Da / Num. of mol.: 1 / Mutation: C17S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: Actinorhodin Acyl Carrier protein, SCBAC28G1.15, SCO5089 Plasmid: pET 11c / Production host: ![]() ![]() |
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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 |