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- PDB-2ju1: Solution structure of acyl carrier protein domain from module 2 o... -
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Basic information
Entry | Database: PDB / ID: 2ju1 | ||||||
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Title | Solution structure of acyl carrier protein domain from module 2 of 6-deoxyerythronolide B synthase (DEBS) | ||||||
![]() | Erythronolide synthase | ||||||
![]() | TRANSFERASE / carrier protein domain / modular polyketide synthase / alpha-helical bundle / Acyltransferase / Antibiotic biosynthesis / Multifunctional enzyme / NADP / Phosphopantetheine | ||||||
Function / homology | ![]() 6-deoxyerythronolide-B synthase / erythronolide synthase activity / macrolide biosynthetic process / DIM/DIP cell wall layer assembly / fatty acid synthase activity / phosphopantetheine binding / 3-oxoacyl-[acyl-carrier-protein] synthase activity / fatty acid biosynthetic process / plasma membrane / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing, torsion angle dynamics | ||||||
Model details | residues 5-95 are identical to the DEBS residues 3318-3408 (EryA, EntrezProtein accession no. AAA26493) | ||||||
![]() | Alekseyev, V.Y. / Liu, C.W. / Puglisi, J.D. / Khosla, C. | ||||||
![]() | ![]() Title: Solution structure and proposed domain domain recognition interface of an acyl carrier protein domain from a modular polyketide synthase. Authors: Alekseyev, V.Y. / Liu, C.W. / Cane, D.E. / Puglisi, J.D. / Khosla, C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 836.9 KB | Display | ![]() |
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PDB format | ![]() | 700.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 341.5 KB | Display | ![]() |
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Full document | ![]() | 617.7 KB | Display | |
Data in XML | ![]() | 63 KB | Display | |
Data in CIF | ![]() | 93.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-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: 10160.617 Da / Num. of mol.: 1 / Fragment: acyl carrier protein domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Description: stop codon at the C-terminus, before the C-terminal His-tag present in the plasmid Gene: eryA / Species (production host): Escherichia coli / Production host: ![]() ![]() References: UniProt: Q03131, 6-deoxyerythronolide-B synthase |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR Details: residues 5-95 are identical to the DEBS residues 3318-3408 (EryA, EntrezProtein accession no. AAA26493) | ||||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 0.8-1 mM [U-13C; U-15N] acyl carrier protein, 90% H2O/10% D2O Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 0.8 mM / Component: acyl carrier protein / Isotopic labeling: [U-13C; U-15N] |
Sample conditions | Ionic strength: 30 / pH: 5.5 / Pressure: ambient / Temperature: 288 K |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: simulated annealing, torsion angle dynamics / Software ordinal: 1 Details: The standard simulated annealing protocol included as part of DYANA software was used with 4000 steps per structure. | ||||||||||||
NMR constraints | NOE constraints total: 1791 / NOE intraresidue total count: 327 / NOE long range total count: 438 / NOE medium range total count: 540 / NOE sequential total count: 486 / Protein phi angle constraints total count: 50 | ||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 30 / Maximum upper distance constraint violation: 0.4 Å |