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- PDB-4m7v: Dihydrofolate reductase from Enterococcus faecalis complexed with... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4m7v | ||||||
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Title | Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl | ||||||
![]() | Dihydrofolate reductase | ||||||
![]() | OXIDOREDUCTASE / reduction of dihydrofolate to tetrahydrofolate | ||||||
Function / homology | ![]() glycine biosynthetic process / dihydrofolate reductase / dihydrofolate reductase activity / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Bourne, C.R. | ||||||
![]() | ![]() Title: The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking. Authors: Bourne, C.R. / Wakeham, N. / Webb, N. / Nammalwar, B. / Bunce, R.A. / Berlin, K.D. / Barrow, W.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 | ![]() | 54.3 KB | Display | ![]() |
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PDB format | ![]() | 38 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.6 MB | Display | ![]() |
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Full document | ![]() | 1.6 MB | Display | |
Data in XML | ![]() | 12.2 KB | Display | |
Data in CIF | ![]() | 15.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4m7uC ![]() 1zdrS 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: 19916.615 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: C-terminal Strep tag with cleaved thrombin site; uncleaved N-terminal TEV site Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-RAR / |
#3: Chemical | ChemComp-NAP / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.57 Å3/Da / Density % sol: 52.05 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 1.1 M ammonium tartrate dibasic pH 7 , VAPOR DIFFUSION, SITTING DROP, temperature 277K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS IV++ / Detector: IMAGE PLATE / Date: Mar 3, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→40.63 Å / Num. all: 9274 / Num. obs: 9220 / % possible obs: 99.4 % / Observed criterion σ(F): 0 / Redundancy: 4.2 % / Biso Wilson estimate: 35.7 Å2 / Rsym value: 0.041 / Net I/σ(I): 17.4 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: SWISS-MODEL homology model based on 1ZDR Resolution: 2.3→40.628 Å / SU ML: 0.32 / σ(F): 0 / Phase error: 28.1 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 1 Å / VDW probe radii: 1.2 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→40.628 Å
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Refine LS restraints |
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LS refinement shell |
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