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Yorodumi- PDB-5ou1: M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) -
+Open data
-Basic information
Entry | Database: PDB / ID: 5ou1 | ||||||
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Title | M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | ||||||
Components | Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | ||||||
Keywords | OXIDOREDUCTASE / Complex / Fragment / IMPDH | ||||||
Function / homology | Function and homology information IMP dehydrogenase activity / IMP dehydrogenase / GMP biosynthetic process / GTP biosynthetic process / nucleotide binding / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | Mycobacterium thermoresistibile (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.78 Å | ||||||
Authors | Ascher, D.B. / Pacitto, A. / Blundell, T.L. | ||||||
Citation | Journal: J. Med. Chem. / Year: 2018 Title: Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. Authors: Trapero, A. / Pacitto, A. / Singh, V. / Sabbah, M. / Coyne, A.G. / Mizrahi, V. / Blundell, T.L. / Ascher, D.B. / Abell, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5ou1.cif.gz | 80.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5ou1.ent.gz | 57.8 KB | Display | PDB format |
PDBx/mmJSON format | 5ou1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ou/5ou1 ftp://data.pdbj.org/pub/pdb/validation_reports/ou/5ou1 | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 39854.477 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium thermoresistibile (strain ATCC 19527 / DSM 44167 / CIP 105390 / JCM 6362 / NCTC 10409 / 316) (bacteria) Gene: guaB, KEK_23061 / Production host: Escherichia coli (E. coli) / References: UniProt: G7CNL4, IMP dehydrogenase |
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#2: Chemical | ChemComp-IMP / |
#3: Chemical | ChemComp-AUQ / ( |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.23 % |
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop Details: 100mM sodium acetate pH 5.5, 200mM calcium chloride, 8-14% iso-propanol |
-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.98 Å |
Detector | Type: DECTRIS PILATUS 6M-F / Detector: PIXEL / Date: Dec 2, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.78→44.36 Å / Num. obs: 31464 / % possible obs: 100 % / Redundancy: 2 % / Net I/σ(I): 10.95 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.78→44.36 Å / Cross valid method: FREE R-VALUE /
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Refinement step | Cycle: LAST / Resolution: 1.78→44.36 Å
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