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Open data
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Basic information
Entry | Database: PDB / ID: 6cw7 | ||||||
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Title | E. coli DHFR product complex with (6S)-5,6,7,8-TETRAHYDROFOLATE | ||||||
![]() | Dihydrofolate reductase | ||||||
![]() | OXIDOREDUCTASE / DHFR / dihydrofolate reductase / tetrahydrofolate / complex | ||||||
Function / homology | ![]() dihydrofolate metabolic process / glycine biosynthetic process / dihydrofolate reductase / dihydrofolate reductase activity / folic acid metabolic process / tetrahydrofolate biosynthetic process / one-carbon metabolic process / NADP binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() ![]() | ||||||
![]() | Cao, H. / Rodrigues, J. / Benach, J. / Frommelt, A. / Morisco, L. / Koss, J. / Shakhnovich, E. / Skolnick, J. | ||||||
Funding support | ![]()
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![]() | ![]() Title: The crystal structure of a tetrahydrofolate-bound dihydrofolate reductase reveals the origin of slow product release. Authors: Cao, H. / Gao, M. / Zhou, H. / Skolnick, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 85.2 KB | Display | ![]() |
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PDB format | ![]() | 63.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 756.4 KB | Display | ![]() |
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Full document | ![]() | 757.5 KB | Display | |
Data in XML | ![]() | 11.3 KB | Display | |
Data in CIF | ![]() | 16.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6cqaC ![]() 6cxkC ![]() 6cyvC ![]() 7dfrS 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: 18848.223 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: CFT073 / ATCC 700928 / UPEC / Gene: folA, c0058 / Production host: ![]() ![]() | ||||
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#2: Chemical | ChemComp-THG / ( | ||||
#3: Chemical | #4: Chemical | ChemComp-MG / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.84 Å3/Da / Density % sol: 33.22 % Description: rectangular blocks, with longest dimension of 0.3-0.8mm |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 20 mg/ml protein working stock was prepared from 2:1 v/v mixing of 30mg/ml protein in 20mM Tris pH 8, 1mM DTT and 50mM HEPES pH 7.3, 100mM NaCl. Then the working protein stock at 20 mg/ml is ...Details: 20 mg/ml protein working stock was prepared from 2:1 v/v mixing of 30mg/ml protein in 20mM Tris pH 8, 1mM DTT and 50mM HEPES pH 7.3, 100mM NaCl. Then the working protein stock at 20 mg/ml is mixed at 1:1 v/v ratio with reservoir solution of 0.1M MES pH 6.5, 30% PEG3350, 0.4M MgCl2 Temp details: room temperature 20-22 oC |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX-225 / Detector: CCD / Date: Dec 8, 2017 / Details: Diamond(111) |
Radiation | Monochromator: Kohzu HLD-4 Double Crystal / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97931 Å / Relative weight: 1 |
Reflection | Resolution: 1.03→31.057 Å / Num. obs: 65916 / % possible obs: 97.3 % / Redundancy: 6.354 % / Biso Wilson estimate: 10.76 Å2 / Rmerge(I) obs: 0.064 / Net I/σ(I): 12.57 |
Reflection shell | Resolution: 1.03→1.09 Å / Redundancy: 3.06 % / Rmerge(I) obs: 1.019 / Mean I/σ(I) obs: 1.01 / % possible all: 84.2 |
-Phasing
Phasing | Method: ![]() |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 7DFR Resolution: 1.03→31.06 Å / SU ML: 0.13 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 22.73
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 16.39 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.03→31.06 Å
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Refine LS restraints |
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LS refinement shell |
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