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Yorodumi- PDB-5ndk: Crystal structure of aminoglycoside TC007 co-crystallized with 70... -
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Open data
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Basic information
| Entry | Database: PDB / ID: 5ndk | ||||||
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| Title | Crystal structure of aminoglycoside TC007 co-crystallized with 70S ribosome from Thermus thermophilus, three tRNAs and mRNA | ||||||
 Components | 
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 Keywords | RIBOSOME / translation / 3S / 50S / 70S / tRNA / mRNA / bacteria / RNA-protein complex / inhibitor / antibiotic / aminoglycoside | ||||||
| Function / homology |  Function and homology informationlarge ribosomal subunit / transferase activity / ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / 5S rRNA binding / small ribosomal subunit rRNA binding / ribosomal large subunit assembly / cytosolic small ribosomal subunit / large ribosomal subunit rRNA binding ...large ribosomal subunit / transferase activity / ribosomal small subunit biogenesis / ribosomal small subunit assembly / small ribosomal subunit / 5S rRNA binding / small ribosomal subunit rRNA binding / ribosomal large subunit assembly / cytosolic small ribosomal subunit / large ribosomal subunit rRNA binding / cytosolic large ribosomal subunit / cytoplasmic translation / tRNA binding / negative regulation of translation / rRNA binding / structural constituent of ribosome / ribosome / translation / ribonucleoprotein complex / mRNA binding / zinc ion binding / metal ion binding / cytoplasm / cytosol Similarity search - Function  | ||||||
| Biological species | ![]()  Thermus thermophilus (bacteria)![]()  | ||||||
| Method |  X-RAY DIFFRACTION /  SYNCHROTRON /  MOLECULAR REPLACEMENT / Resolution: 2.95 Å  | ||||||
 Authors | Prokhorova, I. / Djumagulov, M. / Urzhumtsev, A. / Yusupov, M. / Yusupova, G. | ||||||
 Citation |  Journal: Proc. Natl. Acad. Sci. U.S.A. / Year: 2017Title: Aminoglycoside interactions and impacts on the eukaryotic ribosome. Authors: Prokhorova, I. / Altman, R.B. / Djumagulov, M. / Shrestha, J.P. / Urzhumtsev, A. / Ferguson, A. / Chang, C.T. / Yusupov, M. / Blanchard, S.C. / Yusupova, G.  | ||||||
| History | 
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Structure visualization
| Structure viewer | Molecule:  Molmil Jmol/JSmol | 
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Downloads & links
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Download
| PDBx/mmCIF format |  5ndk.cif.gz | 6.8 MB | Display |  PDBx/mmCIF format | 
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| PDB format |  pdb5ndk.ent.gz | Display |  PDB format | |
| PDBx/mmJSON format |  5ndk.json.gz | Tree view |  PDBx/mmJSON format | |
| Others |  Other downloads | 
-Validation report
| Summary document |  5ndk_validation.pdf.gz | 3.1 MB | Display |  wwPDB validaton report | 
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| Full document |  5ndk_full_validation.pdf.gz | 5.3 MB | Display | |
| Data in XML |  5ndk_validation.xml.gz | 877.9 KB | Display | |
| Data in CIF |  5ndk_validation.cif.gz | 1.2 MB | Display | |
| Arichive directory |  https://data.pdbj.org/pub/pdb/validation_reports/nd/5ndk ftp://data.pdbj.org/pub/pdb/validation_reports/nd/5ndk | HTTPS FTP  | 
-Related structure data
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Links
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Assembly
| Deposited unit | ![]() 
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| 2 | ![]() 
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| Unit cell | 
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Components
-RNA chain , 5 types, 14 molecules 131G1H14161JY1Y4W1X1V1W4X4V4             
| #1: RNA chain | Mass: 493997.312 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: GenBank: 55771382 #15: RNA chain | Mass: 948539.875 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: GenBank: 55771382 #26: RNA chain | Mass: 39540.617 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: GenBank: 55771382 #51: RNA chain | Mass: 7911.565 Da / Num. of mol.: 2 / Source method: obtained synthetically / Source: (synth.)  ![]() #52: RNA chain | Mass: 24485.539 Da / Num. of mol.: 6 / Source method: isolated from a natural source / Source: (natural)  ![]()  | 
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+50S ribosomal protein  ... , 27 types, 54 molecules A865B5F81119L5P85815G8C5Q8M5B875L8H561696825H8D52129C885M8I5...                              
-30S ribosomal protein  ... , 20 types, 40 molecules 2A2I8I8A222E8E823I3A3E329I9A1F1B4I4A4E42AIAA5I5A5E52BIBA6I6A...                              
| #6: Protein | Mass: 13737.868 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80376 #7: Protein | Mass: 12325.655 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHP7, UniProt: P0DOY7*PLUS #8: Protein | Mass: 26751.076 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80372 #9: Protein | Mass: 14410.614 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80374 #13: Protein | Mass: 14637.384 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHN3 #14: Protein | Mass: 24373.447 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80373 #19: Protein | Mass: 10258.299 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SLQ0 #20: Protein/peptide | Mass: 3350.030 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SIH3 #24: Protein | Mass: 14338.861 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80377 #25: Protein | Mass: 17583.416 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHQ5 #29: Protein | Mass: 10605.464 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHP2 #33: Protein | Mass: 7158.725 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHQ1, UniProt: P0DOY6*PLUS #34: Protein | Mass: 11988.753 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SLP8 #37: Protein | Mass: 11736.143 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80380 #41: Protein | Mass: 10578.407 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SJ76 #42: Protein | Mass: 18050.973 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P17291 #44: Protein | Mass: 29317.703 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: P80371 #48: Protein | Mass: 11954.968 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHN7 #49: Protein | Mass: 10409.983 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SJH3 #50: Protein | Mass: 15868.570 Da / Num. of mol.: 2 / Source method: isolated from a natural source Source: (natural) ![]()  Thermus thermophilus (strain HB8 / ATCC 27634 / DSM 579) (bacteria)References: UniProt: Q5SHQ2, UniProt: P0DOY9*PLUS  | 
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-Non-polymers , 4 types, 2908 molecules 






| #53: Chemical | ChemComp-8UZ / #54: Chemical | ChemComp-MG / #55: Chemical | ChemComp-ZN / #56: Water |  ChemComp-HOH /  |  | 
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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: 3.23 Å3/Da / Density % sol: 61.96 % | 
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| Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 7.5  Details: 4% PEG20K, 4% PEGMME 550, 100mM Tris/HAc, 200mM KSCN  | 
-Data collection
| Diffraction | Mean temperature: 90 K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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| Diffraction source | Source:  SYNCHROTRON / Site:  SLS   / Beamline: X06SA / Wavelength: 1 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: May 25, 2016 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Reflection | Resolution: 2.95→152.739 Å / Num. obs: 1204009 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 46.833 % / Biso Wilson estimate: 72.68 Å2 / CC1/2: 0.994 / Rmerge(I) obs: 0.307 / Rrim(I) all: 0.31 / Χ2: 0.939 / Net I/σ(I): 16.04 / Num. measured all: 56386821 / Scaling rejects: 4433 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Reflection shell | Diffraction-ID: 1 
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Processing
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| Refinement | Method to determine structure:  MOLECULAR REPLACEMENT / Resolution: 2.95→152.739 Å / SU ML: 0.41  / Cross valid method: FREE R-VALUE / σ(F): 1.34  / Phase error: 26.66  / Stereochemistry target values: ML
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| Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Displacement parameters | Biso max: 242.32 Å2 / Biso mean: 78.5617 Å2 / Biso min: 20 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
| Refinement step | Cycle: final / Resolution: 2.95→152.739 Å
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| Refine LS restraints | 
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| LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30 
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Thermus thermophilus (bacteria)
X-RAY DIFFRACTION
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