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- PDB-4oqx: Crystal structure of thymidine kinase from herpes simplex virus t... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4oqx | ||||||
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Title | Crystal structure of thymidine kinase from herpes simplex virus type 1 in complex with Me-ARA-EdU | ||||||
![]() | Thymidine kinase | ||||||
![]() | TRANSFERASE / DNA SYNTHESIS / Thymidine kinase / ATP-Binding / nucleotide-binding / 5-ETHYNYLURIDINE NUCLEOSIDE DERIVATIVE | ||||||
Function / homology | ![]() TMP biosynthetic process / thymidine kinase / thymidine kinase activity / DNA biosynthetic process / phosphorylation / ATP binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pernot, L. / Neef, A.B. / Westermaier, Y. / Perozzo, R. / Luedtke, N. / Scapozza, L. | ||||||
![]() | ![]() Title: Crystal structure of HSV1-TK complexed with Me-ARA-EdU Authors: Neef, A.B. / Pernot, L. / Scapozza, L. / Luedkte, N.W. #1: Journal: Proc.Natl.Acad.Sci.USA / Year: 2011 Title: Dynamic metabolic labeling of DNA in vivo with arabinosyl nucleosides. Authors: Neef, A.B. / Luedtke, N.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 129.5 KB | Display | ![]() |
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PDB format | ![]() | 101.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
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Full document | ![]() | 1 MB | Display | |
Data in XML | ![]() | 24.5 KB | Display | |
Data in CIF | ![]() | 33.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3f0tS 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: 35908.266 Da / Num. of mol.: 2 / Fragment: UNP residues 45-376 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: 17 / Gene: TK, TK (UL23), UL23 / Plasmid: pGEX-6P-2 / Production host: ![]() ![]() References: UniProt: P03176, UniProt: P0DTH5*PLUS, thymidine kinase #2: Chemical | ChemComp-SO4 / #3: Chemical | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.76 % |
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Crystal grow | Temperature: 296 K / Method: vapor diffusion, sitting drop Details: 0.9-1.2M LI2SO4, 1MM DTT, 0.1M HEPES, PH 7.5-8.0, VAPOR DIFFUSION, SITTING DROP, temperature 296K PH range: 7.5-8.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Oct 10, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→34.9 Å / Num. all: 24367 / Num. obs: 24367 / % possible obs: 96.8 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 6.4 % / Biso Wilson estimate: 31.19 Å2 / Rmerge(I) obs: 0.115 / Rsym value: 0.106 / Net I/σ(I): 12.2 |
Reflection shell | Resolution: 2.5→2.64 Å / Redundancy: 5.8 % / Rmerge(I) obs: 0.471 / Mean I/σ(I) obs: 3.3 / Num. unique all: 3413 / Rsym value: 0.434 / % possible all: 93.9 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 3F0T Resolution: 2.5→34.871 Å / SU ML: 0.35 / Isotropic thermal model: 17.12 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 28.78 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.33 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→34.871 Å
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Refine LS restraints |
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LS refinement shell |
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