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- PDB-5zwa: Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typh... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5zwa | |||||||||
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Title | Crystal structure of Pyridoxal kinase (PdxK) from Salmonella typhimurium in complex with ADP, PL-linked to Lys233 via Schiff base in protomer A and the product (PLP) in protomer B | |||||||||
![]() | (Pyridoxine/pyridoxal/pyridoxamine ...) x 2 | |||||||||
![]() | TRANSFERASE / Pyridoxal kinase / bound phosphate / Salmonella typhimurium | |||||||||
Function / homology | ![]() hydroxymethylpyrimidine kinase activity / pyridoxal kinase activity / pyridoxal 5'-phosphate salvage / pyridoxal kinase / phosphorylation / magnesium ion binding / zinc ion binding / ATP binding / cytosol Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Deka, G. / Benazir, J.F. / Kalyani, J.N. / Savithri, H.S. / Murthy, M.R.N. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: Structural and functional studies on Salmonella typhimurium pyridoxal kinase: the first structural evidence for the formation of Schiff base with the substrate. Authors: Deka, G. / Kalyani, J.N. / Jahangir, F.B. / Sabharwal, P. / Savithri, H.S. / Murthy, M.R.N. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 127.2 KB | Display | ![]() |
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PDB format | ![]() | 94.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 836.1 KB | Display | ![]() |
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Full document | ![]() | 840 KB | Display | |
Data in XML | ![]() | 24.5 KB | Display | |
Data in CIF | ![]() | 34.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5zw9SC ![]() 5zwbC 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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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: _ / Ens-ID: 1 / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / End auth comp-ID: PRO / End label comp-ID: PRO / Refine code: _ / Auth seq-ID: 17 - 283 / Label seq-ID: 17 - 283
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Components
-Pyridoxine/pyridoxal/pyridoxamine ... , 2 types, 2 molecules AB
#1: Protein | Mass: 32287.844 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: A0A0M0PWM4, UniProt: A0A0F7J8S0*PLUS, pyridoxal kinase |
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#2: Protein | Mass: 32139.703 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: A0A0M0PWM4, UniProt: A0A0F7J8S0*PLUS, pyridoxal kinase |
-Non-polymers , 8 types, 282 molecules ![](data/chem/img/SO4.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/PLP.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/EDO.gif)
![](data/chem/img/ADP.gif)
![](data/chem/img/MG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/PLP.gif)
![](data/chem/img/PO4.gif)
![](data/chem/img/HOH.gif)
#3: Chemical | #4: Chemical | ChemComp-EDO / #5: Chemical | ChemComp-ADP / | #6: Chemical | #7: Chemical | #8: Chemical | ChemComp-PLP / | #9: Chemical | ChemComp-PO4 / | #10: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.42 Å3/Da / Density % sol: 49.12 % |
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Crystal grow | Temperature: 293 K / Method: batch mode / pH: 8.5 / Details: 50% PEG 4000, 10% Glycerol, 100 mM Tris |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Jan 26, 2013 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5417 Å / Relative weight: 1 |
Reflection | Resolution: 2.45→62.23 Å / Num. obs: 23479 / % possible obs: 94.3 % / Redundancy: 14.9 % / Biso Wilson estimate: 22.9 Å2 / Rmerge(I) obs: 0.13 / Rpim(I) all: 0.03 / Rrim(I) all: 0.14 / Net I/σ(I): 15.7 |
Reflection shell | Resolution: 2.45→2.58 Å / Redundancy: 15.6 % / Rmerge(I) obs: 0.49 / Mean I/σ(I) obs: 5.5 / Num. unique obs: 3297 / Rpim(I) all: 0.11 / Rrim(I) all: 0.5 / % possible all: 93 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 5ZW9 Resolution: 2.45→62.23 Å / Cor.coef. Fo:Fc: 0.918 / Cor.coef. Fo:Fc free: 0.901 / SU B: 7.827 / SU ML: 0.178 / Cross valid method: THROUGHOUT / ESU R: 0.527 / ESU R Free: 0.264 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.782 Å2
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Refinement step | Cycle: 1 / Resolution: 2.45→62.23 Å
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Refine LS restraints |
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