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Yorodumi- PDB-8j5g: Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-th... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8j5g | ||||||
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Title | Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine 5'-diphosphate | ||||||
Components | Deoxyadenosine/deoxycytidine kinase | ||||||
Keywords | TRANSFERASE / Albomycin / biosynthesis | ||||||
Function / homology | Deoxynucleoside kinase domain / Deoxynucleoside kinase / kinase activity / phosphorylation / P-loop containing nucleoside triphosphate hydrolase / : / Deoxyadenosine/deoxycytidine kinase Function and homology information | ||||||
Biological species | Streptomyces sp. ATCC 700974 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.5 Å | ||||||
Authors | Ushimaru, R. / Mori, T. / Liu, H.-w. / Abe, I. | ||||||
Funding support | 1items
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Citation | Journal: To Be Published Title: Crystal structure of kinase AbmG in complex with 4'-hydroxy-4'-thiocytidine 5'-diphosphate Authors: Ushimaru, R. / Mori, T. / Liu, H.-w. / Abe, I. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8j5g.cif.gz | 81.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8j5g.ent.gz | 48 KB | Display | PDB format |
PDBx/mmJSON format | 8j5g.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/j5/8j5g ftp://data.pdbj.org/pub/pdb/validation_reports/j5/8j5g | HTTPS FTP |
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-Related structure data
Similar structure data | Similarity search - Function & homologyF&H Search |
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-Links
-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: 27403.908 Da / Num. of mol.: 1 / Mutation: E188Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) Streptomyces sp. ATCC 700974 (bacteria) Production host: Escherichia coli (E. coli) / References: UniProt: A0A370RDE4 |
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#2: Chemical | ChemComp-TT9 / [( Mass: 435.241 Da / Num. of mol.: 1 / Source method: obtained synthetically / Formula: C9H15N3O11P2S / Feature type: SUBJECT OF INVESTIGATION |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-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: 42.22 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop Details: 0.03 M citrate, 0.07 M Bis-Tris propane, 28% PEG 3350 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: Photon Factory / Beamline: BL-1A / Wavelength: 1 Å |
Detector | Type: DECTRIS EIGER X 4M / Detector: PIXEL / Date: Nov 30, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→44.6 Å / Num. obs: 37780 / % possible obs: 100 % / Redundancy: 7.5 % / Biso Wilson estimate: 12.55 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.084 / Net I/σ(I): 13.4 |
Reflection shell | Resolution: 1.5→1.53 Å / Redundancy: 7.7 % / Rmerge(I) obs: 0.625 / Mean I/σ(I) obs: 3.2 / Num. unique obs: 1824 / CC1/2: 0.933 / % possible all: 100 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.5→44.6 Å / SU ML: 0.1467 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 18.7237 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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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 mean: 16.51 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→44.6 Å
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Refine LS restraints |
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LS refinement shell |
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