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- PDB-4iol: N10-formyltetrahydrofolate synthetase from Moorella thermoacetica... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4iol | ||||||
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Title | N10-formyltetrahydrofolate synthetase from Moorella thermoacetica with ADP/ZD9 and XPO | ||||||
![]() | Formate--tetrahydrofolate ligase | ||||||
![]() | LIGASE/LIGASE INHIBITOR / alpha/beta / enzyme / LIGASE-LIGASE INHIBITOR complex | ||||||
Function / homology | ![]() formate-tetrahydrofolate ligase / formate-tetrahydrofolate ligase activity / tetrahydrofolate interconversion / ATP binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Stec, B. | ||||||
![]() | ![]() Title: Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors. Authors: Celeste, L.R. / Chai, G. / Bielak, M. / Minor, W. / Lovelace, L.L. / Lebioda, L. | ||||||
History |
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Remark 0 | THIS ENTRY 4IOL REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA R3PZXSF DETERMINED ...THIS ENTRY 4IOL REFLECTS AN ALTERNATIVE MODELING OF THE ORIGINAL STRUCTURAL DATA R3PZXSF DETERMINED BY AUTHORS OF THE PDB ENTRY 3SIN: L.R. CELESTE, G. CHAI, M. BIELAK, W. MINOR, L.L. LOVELACE, L. LEBIODA | ||||||
Remark 200 | AUTHOR USED THE SF DATA FROM ENTRY 3SIN. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 223.1 KB | Display | ![]() |
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PDB format | ![]() | 179 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.2 MB | Display | |
Data in XML | ![]() | 44.1 KB | Display | |
Data in CIF | ![]() | 60.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4iojC ![]() 4iokC ![]() 4iomC ![]() 3sin 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 on special symmetry positions |
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Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 60011.980 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q2RM91, formate-tetrahydrofolate ligase |
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-Non-polymers , 5 types, 173 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/ZD9.gif)
![](data/chem/img/XPO.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/ZD9.gif)
![](data/chem/img/XPO.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-SO4 / #3: Chemical | #4: Chemical | ChemComp-ZD9 / | #5: Chemical | ChemComp-XPO / | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.66 Å3/Da / Density % sol: 53.77 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 7 Details: 18 to 22% (w/v) PEG 6-8K, 0.2M AS, 1 mM DTT, 75 mM KMB pH 7.0-8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2.56→122.3 Å / Num. obs: 79627 / % possible obs: 91.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 4.5 % / Rmerge(I) obs: 0.049 / Net I/σ(I): 9.4 |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3SIN ![]() 3sin Resolution: 2.563→122.3 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.906 / SU B: 14.909 / SU ML: 0.304 / Cross valid method: THROUGHOUT / ESU R Free: 0.38 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 63.713 Å2
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Refinement step | Cycle: LAST / Resolution: 2.563→122.3 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.563→2.63 Å / Total num. of bins used: 20
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