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Yorodumi- PDB-4uof: Crystallographic structure of nucleoside diphosphate kinase from ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4uof | ||||||
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Title | Crystallographic structure of nucleoside diphosphate kinase from Litopenaeus vannamei complexed with dADP | ||||||
Components | NUCLEOSIDE DIPHOSPHATE KINASENucleoside-diphosphate kinase | ||||||
Keywords | TRANSFERASE / BINARY / COMPLEX / DADP / PURINE / WHITE-SHRIMP / BINDING SITE / DESOXYNUCLEOTIDE | ||||||
Function / homology | Function and homology information nucleoside-diphosphate kinase / UTP biosynthetic process / CTP biosynthetic process / GTP biosynthetic process / nucleoside diphosphate kinase activity / phosphorylation / ATP binding Similarity search - Function | ||||||
Biological species | LITOPENAEUS VANNAMEI (Pacific white shrimp) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.102 Å | ||||||
Authors | Lopez-Zavala, A.A. / Stojanoff, V. / Rudino-Pinera, E. / Sotelo-Mundo, R.R. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.F / Year: 2014 Title: Structure of Nucleoside Diphosphate Kinase from the Pacific Shrimp (Litopenaeus Vannamei) in Binary Complexes with Purine and Pyrimidine Nucleoside Diphosphates Authors: Lopez-Zavala, A.A. / Quintero-Reyez, I.E. / Carrasco-Miranda, J.S. / Stojanoff, V. / Weichsel, A. / Rudino-Pinera, E. / Sotelo-Mundo, R.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4uof.cif.gz | 108.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4uof.ent.gz | 84.6 KB | Display | PDB format |
PDBx/mmJSON format | 4uof.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uo/4uof ftp://data.pdbj.org/pub/pdb/validation_reports/uo/4uof | HTTPS FTP |
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-Related structure data
Related structure data | 4uogC 4uohC 1be4S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 17015.627 Da / Num. of mol.: 3 Source method: isolated from a genetically manipulated source Source: (gene. exp.) LITOPENAEUS VANNAMEI (Pacific white shrimp) Plasmid: PJEXPRESS414 / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21 / Variant (production host): SALT INDUCIBLE / References: UniProt: A5J299, nucleoside-diphosphate kinase #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 49.2 % / Description: NONE |
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Crystal grow | pH: 8.5 Details: 0.2 M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1 M TRIS-HCL PH 8.5 AND 30% (W/V) PEG 4,000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X6A / Wavelength: 0.979 |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD / Date: Nov 1, 2013 / Details: TOROIDAL FOCUSING MIRROR |
Radiation | Monochromator: SI(111) CHANNEL CUT / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→19.8 Å / Num. obs: 26320 / % possible obs: 91.2 % / Observed criterion σ(I): 2 / Redundancy: 7.8 % / Biso Wilson estimate: 20.42 Å2 / Rmerge(I) obs: 0.14 / Net I/σ(I): 15.4 |
Reflection shell | Resolution: 2.1→2.2 Å / Redundancy: 5.4 % / Rmerge(I) obs: 0.62 / Mean I/σ(I) obs: 2.7 / % possible all: 95.1 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1BE4 Resolution: 2.102→19.854 Å / SU ML: 0.24 / σ(F): 1.33 / Phase error: 24.95 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 26.8 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.7 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.102→19.854 Å
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Refine LS restraints |
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LS refinement shell |
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