+Open data
-Basic information
Entry | Database: PDB / ID: 7mjv | ||||||||||||
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Title | MiaB in the complex with s-adenosylmethionine and RNA | ||||||||||||
Components |
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Keywords | TRANSFERASE/RNA / tRNA-2-methylthio-N(6)-dimethylallyladenosine synthase / TRANSFERASE / TRANSFERASE-RNA complex | ||||||||||||
Function / homology | Function and homology information tRNA-2-methylthio-N6-dimethylallyladenosine synthase / methylthiotransferase activity / tRNA modification / 4 iron, 4 sulfur cluster binding / metal ion binding / cytoplasm Similarity search - Function | ||||||||||||
Biological species | Bacteroides uniformis (bacteria) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.24 Å | ||||||||||||
Authors | Esakova, O.A. / Grove, T.L. / Yennawar, N.H. / Arcinas, A.J. / Wang, B. / Krebs, C. / Almo, S.C. / Booker, S.J. | ||||||||||||
Funding support | United States, 3items
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Citation | Journal: Nature / Year: 2021 Title: Structural basis for tRNA methylthiolation by the radical SAM enzyme MiaB. Authors: Esakova, O.A. / Grove, T.L. / Yennawar, N.H. / Arcinas, A.J. / Wang, B. / Krebs, C. / Almo, S.C. / Booker, S.J. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7mjv.cif.gz | 217.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7mjv.ent.gz | 168.9 KB | Display | PDB format |
PDBx/mmJSON format | 7mjv.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mj/7mjv ftp://data.pdbj.org/pub/pdb/validation_reports/mj/7mjv | HTTPS FTP |
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-Related structure data
Related structure data | 7mjwC 7mjxC 7mjyC 7mjzC 2qgqS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein / RNA chain , 2 types, 2 molecules AE
#1: Protein | Mass: 51275.305 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacteroides uniformis (bacteria) Gene: miaB_2, miaB, DW795_02470, DW831_10175, DWW14_18715, DWX44_14905, DXC07_08890, DXC80_15965, DXD90_15595, ERS417307_03809, GAP41_19630, GAP48_15545, GAP55_16410, GAQ44_15640 Production host: Escherichia coli (E. coli) References: UniProt: A0A174NUT3, tRNA-2-methylthio-N6-dimethylallyladenosine synthase |
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#2: RNA chain | Mass: 5503.426 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) Bacteroides uniformis (bacteria) |
-Non-polymers , 5 types, 42 molecules
#3: Chemical | ChemComp-F3S / | ||
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#4: Chemical | ChemComp-SF4 / | ||
#5: Chemical | ChemComp-SAM / | ||
#6: Chemical | #7: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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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: 2.13 Å3/Da / Density % sol: 42.29 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop Details: 100 mM Na-cacodylate, pH 5.5, 13% PEG 4000 and 3% (+/-)-2-methyl-2,4-pentanediol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 23-ID-B / Wavelength: 1.0033 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: DECTRIS EIGER2 X 16M / Detector: PIXEL / Date: Jul 24, 2018 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 1.0033 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.24→50 Å / Num. obs: 22398 / % possible obs: 93.7 % / Redundancy: 7.3 % / Biso Wilson estimate: 31.73 Å2 / Rmerge(I) obs: 0.153 / Rpim(I) all: 0.058 / Rrim(I) all: 0.164 / Χ2: 1.021 / Net I/σ(I): 7.6 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 2QGQ Resolution: 2.24→45.51 Å / SU ML: 0.2 / Cross valid method: THROUGHOUT / σ(F): 1.35 / Phase error: 33.06 / 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: 139.7 Å2 / Biso mean: 59.7606 Å2 / Biso min: 30.19 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.24→45.51 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0
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Refinement TLS params. | Method: refined / Origin x: 24.0822 Å / Origin y: 2.7182 Å / Origin z: 119.7102 Å
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Refinement TLS group |
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