+Open data
-Basic information
Entry | Database: PDB / ID: 6p2l | |||||||||
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Title | Crystal structure of Niastella koreensis GH74 (NkGH74) enzyme | |||||||||
Components | Glycosyl hydrolase BNR repeat-containing protein | |||||||||
Keywords | HYDROLASE / glycosyl hydrolase / GH74 / xyloglucanase / 7-fold beta-propeller | |||||||||
Function / homology | YVTN repeat-like/Quinoprotein amine dehydrogenase / 7 Propeller / Methylamine Dehydrogenase; Chain H / hydrolase activity / WD40/YVTN repeat-like-containing domain superfamily / Immunoglobulin-like fold / Mainly Beta / Glycosyl hydrolase BNR repeat-containing protein Function and homology information | |||||||||
Biological species | Niastella koreensis | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.08 Å | |||||||||
Authors | Stogios, P.J. / Skarina, T. / Arnal, G. / Brumer, H. / Savchenko, A. | |||||||||
Funding support | Canada, 1items
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Citation | Journal: J.Biol.Chem. / Year: 2019 Title: Substrate specificity, regiospecificity, and processivity in glycoside hydrolase family 74. Authors: Arnal, G. / Stogios, P.J. / Asohan, J. / Attia, M.A. / Skarina, T. / Viborg, A.H. / Henrissat, B. / Savchenko, A. / Brumer, H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6p2l.cif.gz | 515.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6p2l.ent.gz | 409.9 KB | Display | PDB format |
PDBx/mmJSON format | 6p2l.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/p2/6p2l ftp://data.pdbj.org/pub/pdb/validation_reports/p2/6p2l | HTTPS FTP |
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-Related structure data
Related structure data | 6p2kC 6p2mC 6p2nC 6p2oC 6mglS 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 on special symmetry positions |
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-Components
#1: Protein | Mass: 73224.234 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Niastella koreensis (strain DSM 17620 / KACC 11465 / GR20-10) (bacteria) Strain: DSM 17620 / KACC 11465 / GR20-10 / Gene: Niako_1751 / Variant: DSM 17620 / KACC 11465 / GR20-10 / Plasmid: pMCSG53 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: G8TAF2 | ||
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#2: Polysaccharide | alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D- ...alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
#3: Polysaccharide | alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D- ...alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose Source method: isolated from a genetically manipulated source | ||
#4: Chemical | ChemComp-CL / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 45 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 1 M ammonium sulfate, 1 M sodium chloride, 0.1 M bis-Tris propane pH 7, xyloglucan mixture |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: CLSI / Beamline: 08ID-1 / Wavelength: 0.9796 Å |
Detector | Type: DECTRIS PILATUS3 S 6M / Detector: PIXEL / Date: Oct 12, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9796 Å / Relative weight: 1 |
Reflection | Resolution: 1.08→30 Å / Num. obs: 274214 / % possible obs: 98.3 % / Redundancy: 4.5 % / Rmerge(I) obs: 0.073 / Rpim(I) all: 0.037 / Net I/σ(I): 25.9 |
Reflection shell | Resolution: 1.08→1.1 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.825 / Mean I/σ(I) obs: 1.7 / Num. unique obs: 13277 / CC1/2: 0.605 / Rpim(I) all: 0.447 / % possible all: 96 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 6MGL Resolution: 1.08→29.128 Å / SU ML: 0.08 / Cross valid method: FREE R-VALUE / σ(F): 0 / Phase error: 13.58 / 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: 1.08→29.128 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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