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Yorodumi- PDB-5ahs: 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenell... -
+Open data
-Basic information
Entry | Database: PDB / ID: 5ahs | ||||||
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Title | 3-Sulfinopropionyl-Coenzyme A (3SP-CoA) desulfinase from Advenella mimgardefordensis DPN7T: holo crystal structure with the substrate analog succinyl-CoA | ||||||
Components | ACYL-COA DEHYDROGENASE | ||||||
Keywords | OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information 3-sulfinopropanoyl-CoA desulfinase / oxidoreductase activity, acting on the CH-CH group of donors / flavin adenine dinucleotide binding / hydrolase activity Similarity search - Function | ||||||
Biological species | ADVENELLA MIMIGARDEFORDENSIS DPN7 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Cianci, M. / Schuermann, M. / Meijers, R. / Schneider, T.R. / Steinbuechel, A. | ||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 2015 Title: 3-Sulfinopropionyl-Coenzyme a (3Sp-Coa) Desulfinase from Advenella Mimigardefordensis Dpn7(T): Crystal Structure and Function of a Desulfinase with an Acyl-Coa Dehydrogenase Fold. Authors: Schurmann, M. / Meijers, R. / Schneider, T.R. / Steinbuchel, A. / Cianci, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5ahs.cif.gz | 491.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5ahs.ent.gz | 406.1 KB | Display | PDB format |
PDBx/mmJSON format | 5ahs.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ah/5ahs ftp://data.pdbj.org/pub/pdb/validation_reports/ah/5ahs | HTTPS FTP |
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-Related structure data
Related structure data | 5af7SC 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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Unit cell |
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-Components
-Protein , 1 types, 6 molecules ABCDEF
#1: Protein | Mass: 43581.746 Da / Num. of mol.: 6 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ADVENELLA MIMIGARDEFORDENSIS DPN7 (bacteria) Plasmid: PET23A / Production host: ESCHERICHIA COLI (E. coli) / Strain (production host): BL21(DE3) References: UniProt: K4L7X3, 3-sulfinopropanoyl-CoA desulfinase |
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-Non-polymers , 5 types, 1475 molecules
#2: Chemical | ChemComp-FAD / #3: Chemical | ChemComp-COA / #4: Chemical | ChemComp-SIN / | #5: Chemical | ChemComp-SO4 / | #6: 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: 2.7 Å3/Da / Density % sol: 55.8 % / Description: NONE |
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Crystal grow | Method: vapor diffusion, hanging drop / pH: 7.4 Details: CRYSTALS USED FOR X-RAY DIFFRACTION STUDIES WERE GROWN IN 24-WELL LINBRO PLATES (HAMPTON RESEARCH) BY VAPOUR DIFFUSION IN A HANGING DROP CONFIGURATION FROM 0.1 M BIS- TRIS PH 6.5 AND 5- 20 % ...Details: CRYSTALS USED FOR X-RAY DIFFRACTION STUDIES WERE GROWN IN 24-WELL LINBRO PLATES (HAMPTON RESEARCH) BY VAPOUR DIFFUSION IN A HANGING DROP CONFIGURATION FROM 0.1 M BIS- TRIS PH 6.5 AND 5- 20 % PEG 3350 AT A PROTEIN CONCENTRATION OF 10 MG/ML, BY MIXING 2 UL OF THE PROTEIN SOLUTION WITH 2 UL MOTHER LIQUOR |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: PETRA III, EMBL c/o DESY / Beamline: P13 (MX1) / Wavelength: 0.968 |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Jun 13, 2013 / Details: KB MIRRORS |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.968 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→121.29 Å / Num. obs: 126487 / % possible obs: 99.9 % / Observed criterion σ(I): 2 / Redundancy: 4.9 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 13.5 |
Reflection shell | Resolution: 2.3→2.34 Å / Redundancy: 5 % / Rmerge(I) obs: 0.95 / Mean I/σ(I) obs: 2 / % possible all: 99.9 |
-Processing
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 5AF7 Resolution: 2.3→116.746 Å / SU ML: 0.31 / σ(F): 1.91 / Phase error: 27.79 / 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 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→116.746 Å
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Refine LS restraints |
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LS refinement shell |
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