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Yorodumi- PDB-4m7u: Dihydrofolate reductase from Enterococcus faecalis complexed with... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4m7u | ||||||
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Title | Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H) | ||||||
Components | Dihydrofolate reductase | ||||||
Keywords | OXIDOREDUCTASE / reduction of dihydrofolate to tetrahydrofolate | ||||||
Function / homology | Function and homology information dihydrofolate metabolic process / folic acid metabolic process / dihydrofolate reductase / dihydrofolate reductase activity / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / cytosol Similarity search - Function | ||||||
Biological species | Enterococcus faecalis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.1014 Å | ||||||
Authors | Bourne, C.R. | ||||||
Citation | Journal: Biochemistry / Year: 2014 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4m7u.cif.gz | 53.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4m7u.ent.gz | 37.8 KB | Display | PDB format |
PDBx/mmJSON format | 4m7u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4m7u_validation.pdf.gz | 986.4 KB | Display | wwPDB validaton report |
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Full document | 4m7u_full_validation.pdf.gz | 993.2 KB | Display | |
Data in XML | 4m7u_validation.xml.gz | 11.3 KB | Display | |
Data in CIF | 4m7u_validation.cif.gz | 15.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/m7/4m7u ftp://data.pdbj.org/pub/pdb/validation_reports/m7/4m7u | HTTPS FTP |
-Related structure data
Related structure data | 4m7vC 1zdrS 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 on special symmetry positions |
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-Components
#1: Protein | Mass: 20045.795 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.) Enterococcus faecalis (bacteria) / Strain: 700802 / Gene: dihydrofolate reductase, EF_1577, folA / Plasmid: pPSG-IBA3 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pLysS / References: UniProt: Q834R2, dihydrofolate reductase |
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#2: Chemical | ChemComp-NAP / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 50.76 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: polyethylene glycol 3350, 1.5 M ammonium citrate dibasic pH 7 , VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH3R / Wavelength: 1.54 Å |
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: 2.101→40.63 Å / Num. all: 12062 / Num. obs: 11841 / % possible obs: 98.17 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Biso Wilson estimate: 26.5 Å2 / Rsym value: 0.097 / Net I/σ(I): 9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: SWISS-MODEL homology model based on 1ZDR Resolution: 2.1014→40.628 Å / SU ML: 0.23 / σ(F): 0 / Phase error: 21.96 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.7 Å / VDW probe radii: 1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1014→40.628 Å
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Refine LS restraints |
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LS refinement shell |
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