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Yorodumi- PDB-4jd6: Crystal structure of Mycobacterium tuberculosis Eis in complex wi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4jd6 | ||||||
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Title | Crystal structure of Mycobacterium tuberculosis Eis in complex with coenzyme A and tobramycin | ||||||
Components | Enhanced intracellular survival protein | ||||||
Keywords | TRANSFERASE / GNAT / aminoglycoside acetyltransferase | ||||||
Function / homology | Function and homology information effector-mediated defense to host-produced reactive oxygen species / symbiont-mediated perturbation of host inflammatory response / symbiont-mediated suppression of host defense-related programmed cell death / aminoglycoside antibiotic catabolic process / aminoglycoside N-acetyltransferase activity / symbiont-mediated perturbation of host innate immune response / Suppression of autophagy / symbiont-mediated perturbation of host programmed cell death / bacterial extracellular vesicle / biological process involved in interaction with host ...effector-mediated defense to host-produced reactive oxygen species / symbiont-mediated perturbation of host inflammatory response / symbiont-mediated suppression of host defense-related programmed cell death / aminoglycoside antibiotic catabolic process / aminoglycoside N-acetyltransferase activity / symbiont-mediated perturbation of host innate immune response / Suppression of autophagy / symbiont-mediated perturbation of host programmed cell death / bacterial extracellular vesicle / biological process involved in interaction with host / host cell cytoplasmic vesicle / N-acetyltransferase activity / peptide-lysine-N-acetyltransferase activity / Transferases; Acyltransferases; Transferring groups other than aminoacyl groups / host extracellular space / response to antibiotic / identical protein binding / cytosol Similarity search - Function | ||||||
Biological species | Mycobacterium tuberculosis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.5 Å | ||||||
Authors | Biswas, T. / Chen, W. / Garneau-Tsodikova, S. / Tsodikov, O.V. | ||||||
Citation | Journal: Chembiochem / Year: 2013 Title: Chemical and structural insights into the regioversatility of the aminoglycoside acetyltransferase eis. Authors: Houghton, J.L. / Biswas, T. / Chen, W. / Tsodikov, O.V. / Garneau-Tsodikova, S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4jd6.cif.gz | 458.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4jd6.ent.gz | 379.8 KB | Display | PDB format |
PDBx/mmJSON format | 4jd6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4jd6_validation.pdf.gz | 3 MB | Display | wwPDB validaton report |
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Full document | 4jd6_full_validation.pdf.gz | 3.1 MB | Display | |
Data in XML | 4jd6_validation.xml.gz | 83.2 KB | Display | |
Data in CIF | 4jd6_validation.cif.gz | 105.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jd/4jd6 ftp://data.pdbj.org/pub/pdb/validation_reports/jd/4jd6 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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-Components
#1: Protein | Mass: 46660.840 Da / Num. of mol.: 6 / Mutation: C204A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: H37Rv / Gene: RVBD_2416c / Production host: Escherichia coli (E. coli) / References: UniProt: I6X469, UniProt: P9WFK7*PLUS #2: Chemical | ChemComp-COA / #3: Chemical | Nonpolymer details | The phosphopantetheinyl arms of CoA molecules were poorly resolved in chains A, D, E, F and were ...The phosphopantetheinyl arms of CoA molecules were poorly resolved in chains A, D, E, F and were placed in the partial electron density based on their conformation in the other monomers and consistent with the previously observed position of the phosphopantetheinyl arm of CoA molecules mound to Eis in entry 3R1K. Similarly, the tobramycin molecule bound to monomer B was placed and refined in partial, but strong, omit density based on the position of the tobramycin molecule in the binding site of monomer A. | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.54 Å3/Da / Density % sol: 51.51 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: TOB (1 mM) and CoA (1 mM)); reservoir solution (Tris-HCl (100 mM, pH 8.5) and PEG 8,000 (13% w/v)), VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 21-ID-D / Wavelength: 1 Å |
Detector | Type: MARMOSAIC 300 mm CCD / Detector: CCD / Date: Nov 11, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 3.5→50 Å / Num. obs: 33556 / % possible obs: 100 % / Observed criterion σ(I): 2.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.5→40 Å / Cor.coef. Fo:Fc: 0.927 / Cor.coef. Fo:Fc free: 0.901 / SU B: 42.469 / SU ML: 0.626 / Cross valid method: THROUGHOUT / ESU R Free: 0.733 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 126.345 Å2
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Refinement step | Cycle: LAST / Resolution: 3.5→40 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 3.5→3.59 Å / Total num. of bins used: 20
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