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- PDB-5vsj: Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphon... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5vsj | ||||||
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Title | Sco GlgEI-V279S in complex with a pyrolidene-based ethyl-phosphonate compound | ||||||
![]() | Alpha-1,4-glucan:maltose-1-phosphate maltosyltransferase 1 | ||||||
![]() | TRANSFERASE / Streptomyces coelicolor / Maltosyltransferase / transition state analogue / Alpha-1 / 4-glucan | ||||||
Function / homology | ![]() starch synthase (maltosyl-transferring) / alpha-glucan biosynthetic process / hexosyltransferase activity / oligosaccharide catabolic process / alpha-amylase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Petit, C. / Ronning, D.R. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S. Authors: Veleti, S.K. / Petit, C. / Ronning, D.R. / Sucheck, S.J. #1: ![]() Title: Zwitterionic pyrrolidene-phosphonates: inhibitors of the glycoside hydrolase-like phosphorylase Streptomyces coelicolor GlgEI-V279S. Authors: Veleti, S.K. / Petit, C. / Ronning, D.R. / Sucheck, S.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 272.4 KB | Display | ![]() |
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PDB format | ![]() | 218.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.3 MB | Display | ![]() |
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Full document | ![]() | 1.3 MB | Display | |
Data in XML | ![]() | 48 KB | Display | |
Data in CIF | ![]() | 67.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5vt4C ![]() 4cn1S C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 74179.133 Da / Num. of mol.: 2 / Mutation: V279S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC BAA-471 / A3(2) / M145 / Gene: glgE1, pep1, pep1A, pep1I, SCO5443, SC6A11.19c / Cell line (production host): BL21 / Production host: ![]() ![]() References: UniProt: Q9L1K2, starch synthase (maltosyl-transferring) #2: Chemical | #3: Chemical | ChemComp-TRS / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.47 Å3/Da / Density % sol: 64.51 % / Description: Diamond |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 7 / Details: 0.2 M sodium citrate pH 7.0 and 10 % PEG 3,350 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jul 24, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97872 Å / Relative weight: 1 |
Reflection | Resolution: 2.45→45.878 Å / Num. obs: 76413 / % possible obs: 99.1 % / Redundancy: 12.7 % / Net I/σ(I): 14.84 |
Reflection shell | Redundancy: 13.3 % / Num. unique obs: 7224 / % possible all: 95.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 4CN1 Resolution: 2.456→45.878 Å / SU ML: 0.32 / Cross valid method: NONE / σ(F): 1.34 / Phase error: 25.09 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.456→45.878 Å
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Refine LS restraints |
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LS refinement shell |
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