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- PDB-3dl5: Crystal Structure of the A287F Active Site Mutant of TS-DHFR from... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3dl5 | ||||||
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Title | Crystal Structure of the A287F Active Site Mutant of TS-DHFR from Cryptosporidium hominis | ||||||
![]() | Dihydrofolate reductase, DHFR | ||||||
![]() | OXIDOREDUCTASE / Enzyme active site mutant / Enzyme-ligand complex | ||||||
Function / homology | ![]() Thymidylate Synthase; Chain A / Thymidylate synthase/dCMP hydroxymethylase domain / Dihydrofolate Reductase, subunit A / Dihydrofolate Reductase, subunit A / 2-Layer Sandwich / 3-Layer(aba) Sandwich / Alpha Beta Similarity search - Domain/homology | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Vargo, M.A. / Martucci, W.E. / Anderson, K.S. | ||||||
![]() | ![]() Title: Explaining an unusually fast parasitic enzyme: folate tail-binding residues dictate substrate positioning and catalysis in Cryptosporidium hominis thymidylate synthase. Authors: Martucci, W.E. / Vargo, M.A. / Anderson, K.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 536.3 KB | Display | ![]() |
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PDB format | ![]() | 442.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 6.7 MB | Display | ![]() |
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Full document | ![]() | 6.9 MB | Display | |
Data in XML | ![]() | 110.8 KB | Display | |
Data in CIF | ![]() | 144.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3dl6C ![]() 1qzfS 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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1 | ![]()
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2 | ![]()
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3 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 5 molecules ABCDE
#1: Protein | Mass: 60338.613 Da / Num. of mol.: 5 / Mutation: A287F Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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-Non-polymers , 5 types, 465 molecules ![](data/chem/img/UMP.gif)
![](data/chem/img/CB3.gif)
![](data/chem/img/DHF.gif)
![](data/chem/img/NDP.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CB3.gif)
![](data/chem/img/DHF.gif)
![](data/chem/img/NDP.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-UMP / #3: Chemical | ChemComp-CB3 / #4: Chemical | ChemComp-DHF / #5: Chemical | ChemComp-NDP / #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.55 Å3/Da / Density % sol: 72.94 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.1mM ammonium sulfate, 0.2mM, lithium sulfate, 0.1mM Tris, 12% PEG-6000, flash frozen in 25% ethylene glycol, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Aug 16, 2006 |
Radiation | Monochromator: Si (111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 2.74→45.4 Å / Num. obs: 141384 / % possible obs: 99.8 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.6 % / Biso Wilson estimate: 68 Å2 / Rmerge(I) obs: 0.123 / Net I/σ(I): 9.5 |
Reflection shell | Resolution: 2.74→2.91 Å / Redundancy: 3.6 % / Rmerge(I) obs: 0.682 / Mean I/σ(I) obs: 2.1 / Num. unique all: 22312 / % possible all: 99.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1QZF Resolution: 2.74→45.4 Å / Isotropic thermal model: anisotropic / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.74→45.4 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.74→2.91 Å / Rfactor Rfree error: 0.01
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