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- PDB-5noo: Crystal Structure of C.elegans Thymidylate Synthase in Complex wi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5noo | |||||||||
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Title | Crystal Structure of C.elegans Thymidylate Synthase in Complex with dUMP and Tomudex | |||||||||
![]() | Thymidylate synthase![]() | |||||||||
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Function / homology | ![]() ![]() ![]() ![]() Similarity search - Function | |||||||||
Biological species | ![]() ![]() ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Wilk, P. / Jarmula, A. / Maj, P. / Dowiercial, A. / Banaszak, K. / Rypniewski, W. / Rode, W. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in ...Title: Crystal structures of nematode (parasitic T. spiralis and free living C. elegans), compared to mammalian, thymidylate synthases (TS). Molecular docking and molecular dynamics simulations in search for nematode-specific inhibitors of TS. Authors: Jarmua, A. / Wilk, P. / Maj, P. / Ludwiczak, J. / Dowiercia, A. / Banaszak, K. / Rypniewski, W. / Ciesla, J. / Dabrowska, M. / Fraczyk, T. / Bronowska, A.K. / Jakowiecki, J. / Filipek, S. / Rode, 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 | ![]() | 241.7 KB | Display | ![]() |
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PDB format | ![]() | 194.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 4iqbC ![]() 5by6C ![]() 4eb4S S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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2 | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 35855.902 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-UMP / ![]() #3: Chemical | ChemComp-D16 / ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.71 Å3/Da / Density % sol: 54.65 % |
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Crystal grow![]() | Temperature: 277 K / Method: vapor diffusion, hanging drop / Details: 0.1M Bis-Tris pH 7.0, 0.2M NaAcetate, 17% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SEALED TUBE / Type: OXFORD DIFFRACTION NOVA / Wavelength: 1.5418 Å |
Detector | Type: AGILENT ATLAS CCD / Detector: CCD / Date: Dec 3, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.9→14.7 Å / Num. obs: 32822 / % possible obs: 96.4 % / Redundancy: 1.8 % / Rmerge(I) obs: 0.135 / Net I/σ(I): 4.6 |
Reflection shell | Resolution: 2.9→3.06 Å / Redundancy: 2.1 % / Rmerge(I) obs: 0.375 / Num. unique all: 4929 / Rsym value: 0.375 / % possible all: 99.1 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 4EB4 Resolution: 2.9→14.7 Å / Cross valid method: FREE R-VALUE
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Displacement parameters | Biso max: 158.43 Å2 / Biso mean: 41.6245 Å2 / Biso min: 8.07 Å2 | |||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.9→14.7 Å
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LS refinement shell | Resolution: 2.9→2.9847 Å
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