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- PDB-6hjg: Trypanosoma cruzi proline racemase in complex with inhibitor OxoPA -
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Open data
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Basic information
Entry | Database: PDB / ID: 6hjg | ||||||
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Title | Trypanosoma cruzi proline racemase in complex with inhibitor OxoPA | ||||||
![]() | Proline racemase A | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Saul, F. / Haouz, A. / Uriac, P. / Blondel, A. / Minoprio, P. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Designed mono- and di-covalent inhibitors trap modeled functional motions for Trypanosoma cruzi proline racemase in crystallography. Authors: Amaral, P.A. / Autheman, D. / de Melo, G.D. / Gouault, N. / Cupif, J.F. / Goyard, S. / Dutra, P. / Coatnoan, N. / Cosson, A. / Monet, D. / Saul, F. / Haouz, A. / Uriac, P. / Blondel, A. / Minoprio, P. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 158.7 KB | Display | ![]() |
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PDB format | ![]() | 123.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6hjeC ![]() 6hjfC ![]() 1w61S 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
#1: Protein | Mass: 45796.246 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() Strain: CL Brener / Gene: PA45-A, Tc00.1047053506795.80 / Production host: ![]() ![]() ![]() ![]() #2: Chemical | ![]() #3: Chemical | ChemComp-PO4 / | ![]() #4: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.57 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, sitting drop Details: 0.2M POTASSIUM PHOSPHATE DIBASIC 21% (W/V) PEG-3350, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 291K |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Sep 17, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.9→42.7 Å / Num. obs: 61363 / % possible obs: 97.6 % / Redundancy: 2.6 % / Rmerge(I) obs: 0.077 / Net I/σ(I): 8.2 |
Reflection shell | Resolution: 1.9→1.94 Å / Redundancy: 2.6 % / Rmerge(I) obs: 0.599 / Mean I/σ(I) obs: 1.9 / % possible all: 99.4 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 1W61 Resolution: 1.9→41.24 Å / Cor.coef. Fo:Fc: 0.958 / Cor.coef. Fo:Fc free: 0.93 / SU B: 4.012 / SU ML: 0.114 / Cross valid method: THROUGHOUT / ESU R: 0.148 / ESU R Free: 0.145 / 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: 36.19 Å2
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Refinement step | Cycle: LAST / Resolution: 1.9→41.24 Å
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Refine LS restraints |
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