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- PDB-6ddw: Mycobacterium tuberculosis Dihydrofolate Reductase complexed with... -
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Open data
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Basic information
Entry | Database: PDB / ID: 6ddw | ||||||
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Title | Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid | ||||||
![]() | Dihydrofolate reductase | ||||||
![]() | oxidoreductase/oxidoreductase inhibitor / DHFR / Antifolate / oxidoreductase-oxidoreductase inhibitor complex | ||||||
Function / homology | ![]() NADP+ binding / dihydrofolate metabolic 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 | ![]() ![]() ![]() | ||||||
![]() | Hajian, B. / Scocchera, E. / Wright, D. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents. Authors: Hajian, B. / Scocchera, E. / Shoen, C. / Krucinska, J. / Viswanathan, K. / G-Dayanandan, N. / Erlandsen, H. / Estrada, A. / Mikusova, K. / Kordulakova, J. / Cynamon, M. / Wright, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 55.4 KB | Display | ![]() |
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PDB format | ![]() | 36.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6ddpC ![]() 6ddsC ![]() 6de4C ![]() 6de5C ![]() 5ja3S 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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1 |
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 17893.293 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Strain: ATCC 25618 / H37Rv / Gene: folA, dfrA, Rv2763c, MTV002.28c / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 144 molecules ![](data/chem/img/NDP.gif)
![](data/chem/img/G7D.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/G7D.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-NDP / | ||||
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#3: Chemical | ChemComp-G7D / | ||||
#4: Chemical | ChemComp-GOL / #5: Chemical | ChemComp-SO4 / | #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.01 Å3/Da / Density % sol: 59.12 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 4.5 Details: 2.1-2.3 M ammonium sulfate, 0.1 M sodium acetate pH 4.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Dec 9, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 1.4→42.204 Å / Num. obs: 36214 / % possible obs: 86.62 % / Redundancy: 2 % / Rmerge(I) obs: 0.013 / Rpim(I) all: 0.013 / Net I/σ(I): 24 |
Reflection shell | Resolution: 1.4→1.45 Å / Rmerge(I) obs: 0.151 / Rpim(I) all: 0.151 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5JA3 Resolution: 1.4→42.204 Å / SU ML: 0.1 / Cross valid method: FREE R-VALUE / σ(F): 1.4 / Phase error: 28.96
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.4→42.204 Å
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Refine LS restraints |
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LS refinement shell |
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