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- PDB-2iwi: CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM O... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2iwi | ||||||
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Title | CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1 | ||||||
![]() | SERINE/THREONINE-PROTEIN KINASE PIM-2 | ||||||
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Function / homology | ![]() apoptotic mitochondrial changes / positive regulation of macroautophagy / positive regulation of autophagy / regulation of mitotic cell cycle / ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Russo, S. / Debreczeni, J.E. / Amos, A. / Bullock, A.N. / Fedorov, O. / Niesen, F. / Sobott, F. / Turnbull, A. / Pike, A.C.W. / Ugochukwu, E. ...Russo, S. / Debreczeni, J.E. / Amos, A. / Bullock, A.N. / Fedorov, O. / Niesen, F. / Sobott, F. / Turnbull, A. / Pike, A.C.W. / Ugochukwu, E. / Papagrigoriou, E. / Bunkoczi, G. / Gorrec, F. / Edwards, A. / Arrowsmith, C. / Weigelt, J. / Sundstrom, M. / von Delft, F. / Knapp, S. | ||||||
![]() | ![]() Title: Crystal structure of the PIM2 kinase in complex with an organoruthenium inhibitor. Authors: Bullock, A.N. / Russo, S. / Amos, A. / Pagano, N. / Bregman, H. / Debreczeni, J.E. / Lee, W.H. / von Delft, F. / Meggers, E. / Knapp, S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 107.6 KB | Display | ![]() |
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PDB format | ![]() | 81 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1xwsS 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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1 | ![]()
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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments:
NCS ensembles :
NCS oper: (Code: given Matrix: (0.94987, 0.28264, -0.13363), Vector ![]() |
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Components
#1: Protein | Mass: 34316.375 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() References: UniProt: Q9P1W9, ![]() #2: Chemical | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.63 Å3/Da / Density % sol: 53.18 % |
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Crystal grow![]() | Method: vapor diffusion, sitting drop Details: 1.5 UL SITTING DROPS, 1.6 M SODIUM-POTASSIUM PHOSPHATE, 0.1 M HEPES PH 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Mar 4, 2006 / Details: MIRRORS |
Radiation | Monochromator: SI 111 / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.8→44.19 Å / Num. obs: 16854 / % possible obs: 99.7 % / Observed criterion σ(I): 2 / Redundancy: 2.9 % / Rmerge(I) obs: 0.06 / Net I/σ(I): 11.23 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 2.21 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: PDB ENTRY 1XWS Resolution: 2.8→76.47 Å / Cor.coef. Fo:Fc: 0.929 / Cor.coef. Fo:Fc free: 0.89 / SU B: 47.383 / SU ML: 0.408 / Cross valid method: THROUGHOUT / ESU R: 1.485 / ESU R Free: 0.402 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 20.47 Å2
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Refinement step | Cycle: LAST / Resolution: 2.8→76.47 Å
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Refine LS restraints |
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