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- PDB-2ckp: Crystal structure of Human Choline Kinase alpha-2 in complex with ADP -
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Open data
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Basic information
Entry | Database: PDB / ID: 2ckp | ||||||
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Title | Crystal structure of Human Choline Kinase alpha-2 in complex with ADP | ||||||
![]() | CHOLINE KINASE ALPHA | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Malito, E. / Lavie, A. | ||||||
![]() | ![]() Title: Elucidation of Human Choline Kinase Crystal Structures in Complex with the Products Adp or Phosphocholine. Authors: Malito, E. / Sekulic, N. / Too, W.C. / Konrad, M. / Lavie, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 133.1 KB | Display | ![]() |
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PDB format | ![]() | 100 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 2ckoC ![]() 2ckqC ![]() 1nw1S 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: 45376.262 Da / Num. of mol.: 2 / Fragment: SPLICE ISOFORM 2, RESIDUES 50-439 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-ADP / | ![]() #3: Water | ChemComp-HOH / | ![]() Sequence details | THE SEQUENCE DESCRIBES THE HUMAN CHOLINE KINASE ISOFORM ALFA-2, ACCORDING TO AYOAMA ET AL., 2000. ...THE SEQUENCE DESCRIBES THE HUMAN CHOLINE KINASE ISOFORM ALFA-2, ACCORDING TO AYOAMA ET AL., 2000. THE UNIPROT DATABASE DESCRIBE IT AS ALFA-1. MOREOVER, THE SEQUENCE FROM OUR CONSTRUCT LACKS THE FIRST N-TER. 49 RESIDUES. THE SEQUENCE BELOW CORRESPOND | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.03 Å3/Da / Density % sol: 69.21 % |
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Crystal grow![]() | pH: 7.5 / Details: 0.01 M MGCL2, 15% PEG 3350, 0.2M NAF, pH 7.50 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Aug 17, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.1→15 Å / Num. obs: 19759 / % possible obs: 99.3 % / Observed criterion σ(I): 0 / Redundancy: 9.6 % / Rmerge(I) obs: 0.15 / Net I/σ(I): 20.38 |
Reflection shell | Resolution: 3.1→3.25 Å / Redundancy: 6.7 % / Rmerge(I) obs: 0.61 / Mean I/σ(I) obs: 2.3 / % possible all: 93.9 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1NW1 Resolution: 3.1→15 Å / Cor.coef. Fo:Fc: 0.873 / Cor.coef. Fo:Fc free: 0.795 / SU B: 45.78 / SU ML: 0.402 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R Free: 0.546 / Stereochemistry target values: MAXIMUM LIKELIHOOD
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 51.31 Å2
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Refinement step | Cycle: LAST / Resolution: 3.1→15 Å
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Refine LS restraints |
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