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Yorodumi- PDB-2yih: Structure of a Paenibacillus polymyxa Xyloglucanase from GH famil... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2yih | |||||||||
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Title | Structure of a Paenibacillus polymyxa Xyloglucanase from GH family 44 with Xyloglucan | |||||||||
Components | CEL44C | |||||||||
Keywords | HYDROLASE / GH44 / ENDO-GLUCANASE / CARBOHYDRATE-BINDING PROTEIN | |||||||||
Function / homology | Function and homology information substituted mannan metabolic process / mannan endo-1,4-beta-mannosidase activity / cellulose binding / metal ion binding Similarity search - Function | |||||||||
Biological species | PAENIBACILLUS POLYMYXA (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.7 Å | |||||||||
Authors | Ariza, A. / Eklof, J.M. / Spadiut, O. / Offen, W.A. / Roberts, S.M. / Besenmatter, W. / Friis, E.P. / Skjot, M. / Wilson, K.S. / Brumer, H. / Davies, G. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2011 Title: Structure and Activity of Paenibacillus Polymyxa Xyloglucanase from Glycoside Hydrolase Family 44. Authors: Ariza, A. / Eklof, J.M. / Spadiut, O. / Offen, W.A. / Roberts, S.M. / Besenmatter, W. / Friis, E.P. / Skjot, M. / Wilson, K.S. / Brumer, H. / Davies, G. | |||||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AD" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AD" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 8-STRANDED BARREL THIS IS REPRESENTED BY A 9-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2yih.cif.gz | 131.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2yih.ent.gz | 99.9 KB | Display | PDB format |
PDBx/mmJSON format | 2yih.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/yi/2yih ftp://data.pdbj.org/pub/pdb/validation_reports/yi/2yih | HTTPS FTP |
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-Related structure data
Related structure data | 2yjqC 2ykkSC 3zq9C 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 on special symmetry positions |
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-Components
-Protein / Sugars , 2 types, 2 molecules A
#1: Protein | Mass: 57915.293 Da / Num. of mol.: 1 / Fragment: RESIDUES 36-559 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) PAENIBACILLUS POLYMYXA (bacteria) / Strain: GS01 / Production host: BACILLUS SUBTILIS (bacteria) / Strain (production host): SHA273 References: UniProt: Q1A2D0, cellulase, xyloglucan-specific endo-beta-1,4-glucanase |
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#2: Polysaccharide | beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D- ...beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose Source method: isolated from a genetically manipulated source |
-Non-polymers , 5 types, 543 molecules
#3: Chemical | ChemComp-CA / | ||||
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#4: Chemical | ChemComp-CL / | ||||
#5: Chemical | #6: Chemical | ChemComp-EDO / #7: Water | ChemComp-HOH / | |
-Details
Compound details | ENGINEERED RESIDUE IN CHAIN A, GLN 103 TO HIS ENGINEERED RESIDUE IN CHAIN A, THR 127 TO VAL ...ENGINEERED |
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Sequence details | SEQUENCE IN DATABASE IS SEQUENCE 2 FROM PATENT US 6815192, WHICH IS FOR A XYLOGLUCANASE-BETA- ...SEQUENCE IN DATABASE IS SEQUENCE 2 FROM PATENT US 6815192, WHICH IS FOR A XYLOGLUCAN |
-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 % / Description: NONE |
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Crystal grow | Details: 27% (W/V) PEG 3350, 0.2 M LITHIUM SULPHATE, 0.1 M BIS TRIS PH 6.5. |
-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I04 / Wavelength: 0.9763 |
Detector | Type: ADSC CCD / Detector: CCD / Date: Sep 25, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9763 Å / Relative weight: 1 |
Reflection | Resolution: 1.7→41.76 Å / Num. obs: 67177 / % possible obs: 95.8 % / Observed criterion σ(I): 2 / Redundancy: 5.3 % / Biso Wilson estimate: 15.3 Å2 / Rmerge(I) obs: 0.09 / Net I/σ(I): 12 |
Reflection shell | Resolution: 1.7→1.79 Å / Redundancy: 4.6 % / Rmerge(I) obs: 0.42 / Mean I/σ(I) obs: 3.1 / % possible all: 93.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2YKK Resolution: 1.7→41.76 Å / Cor.coef. Fo:Fc: 0.963 / Cor.coef. Fo:Fc free: 0.952 / SU B: 1.501 / SU ML: 0.05 / Cross valid method: THROUGHOUT / ESU R: 0.089 / ESU R Free: 0.088 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. RESIDUES 1-7 AND 519-524 ARE DISORDERED. THERE IS UNMODELLED DENSITY NEXT TO THE LIGAND IN THE PLUS 1 SUBSITE AND THE PLUS 5 SUBSITE.
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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 mean: 14.137 Å2
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Refinement step | Cycle: LAST / Resolution: 1.7→41.76 Å
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Refine LS restraints |
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