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Yorodumi- PDB-4yhe: NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYS... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4yhe | |||||||||||||||||||||
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Title | NATIVE BACTEROIDETES-AFFILIATED GH5 CELLULASE LINKED WITH A POLYSACCHARIDE UTILIZATION LOCUS | |||||||||||||||||||||
Components | GH5 | |||||||||||||||||||||
Keywords | HYDROLASE / beta alpha barrel / glycoside hydrolase / metagenomics | |||||||||||||||||||||
Function / homology | Function and homology information organic substance metabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds Similarity search - Function | |||||||||||||||||||||
Biological species | Bacteroidetes bacterium AC2a (bacteria) | |||||||||||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.85 Å | |||||||||||||||||||||
Authors | Naas, A.E. / MacKenzie, A.K. / Dalhus, B. / Eijsink, V.G.H. / Pope, P.B. | |||||||||||||||||||||
Funding support | Norway, Belgium, 6items
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Citation | Journal: Sci Rep / Year: 2015 Title: Structural Features of a Bacteroidetes-Affiliated Cellulase Linked with a Polysaccharide Utilization Locus. Authors: Naas, A.E. / MacKenzie, A.K. / Dalhus, B. / Eijsink, V.G. / Pope, P.B. | |||||||||||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4yhe.cif.gz | 183 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4yhe.ent.gz | 144.9 KB | Display | PDB format |
PDBx/mmJSON format | 4yhe.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yh/4yhe ftp://data.pdbj.org/pub/pdb/validation_reports/yh/4yhe | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 1 / Ens-ID: 1 / Beg auth comp-ID: ARG / Beg label comp-ID: ARG / End auth comp-ID: ARG / End label comp-ID: ARG / Refine code: 5 / Auth seq-ID: 9 - 397 / Label seq-ID: 1 - 389
NCS oper:
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-Components
#1: Protein | Mass: 43681.637 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: Synthetic DNA Source: (gene. exp.) Bacteroidetes bacterium AC2a (bacteria) Plasmid: pNIC-CH / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A076MPD7 #2: 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: 2.51 Å3/Da / Density % sol: 51.02 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: 0.1M Sodium Cacodylate,40% v/v 2-Methyl-2,4-pentanediol, 5% w/v PEG8000 Temp details: Room Temperature |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID29 / Wavelength: 0.9724 Å | |||||||||||||||||||||||||||
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Nov 19, 2012 | |||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.9724 Å / Relative weight: 1 | |||||||||||||||||||||||||||
Reflection | Resolution: 1.85→65.51 Å / Num. obs: 74499 / % possible obs: 98.6 % / Redundancy: 3.7 % / CC1/2: 0.993 / Rmerge(I) obs: 0.081 / Rpim(I) all: 0.047 / Net I/σ(I): 8.9 / Num. measured all: 273972 / Scaling rejects: 51 | |||||||||||||||||||||||||||
Reflection shell | Diffraction-ID: 1 / Rejects: 0
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.85→65.51 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.944 / SU B: 3.267 / SU ML: 0.096 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.141 / ESU R Free: 0.129 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 65.81 Å2 / Biso mean: 25.762 Å2 / Biso min: 11.48 Å2
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Refinement step | Cycle: final / Resolution: 1.85→65.51 Å
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Refine LS restraints |
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Refine LS restraints NCS | Dom-ID: 1 / Auth asym-ID: A / Ens-ID: 1 / Refine-ID: X-RAY DIFFRACTION
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LS refinement shell | Resolution: 1.85→1.898 Å / Total num. of bins used: 20
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