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Yorodumi- PDB-1q2b: CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-L... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1q2b | |||||||||
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Title | CELLOBIOHYDROLASE CEL7A WITH DISULPHIDE BRIDGE ADDED ACROSS EXO-LOOP BY MUTATIONS D241C AND D249C | |||||||||
Components | EXOCELLOBIOHYDROLASE I | |||||||||
Keywords | HYDROLASE / CELLULASE / CELLULOSE DEGRADATION / GLYCOSIDASE / GLYCOPROTEIN / GLYCOSYLATED PROTEIN / DISULPHIDE MUTANT | |||||||||
Function / homology | Function and homology information cellulose 1,4-beta-cellobiosidase (non-reducing end) / cellulose 1,4-beta-cellobiosidase activity / cellulose binding / cellulose catabolic process / extracellular region Similarity search - Function | |||||||||
Biological species | Hypocrea jecorina (fungus) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.6 Å | |||||||||
Authors | Stahlberg, J. / Harris, M. / Jones, T.A. | |||||||||
Citation | Journal: J.Mol.Biol. / Year: 2003 Title: Engineering the exo-loop of Trichoderma reesei cellobiohydrolase, Cel7A. A comparison with Phanerochaete chrysosporium Cel7D. Authors: von Ossowski, I. / Stahlberg, J. / Koivula, A. / Piens, K. / Becker, D. / Boer, H. / Harle, R. / Harris, M. / Divne, C. / Mahdi, S. / Zhao, Y. / Driguez, H. / Claeyssens, M. / Sinnott, M.L. / Teeri, T.T. #1: Journal: J.Mol.Biol. / Year: 1996 Title: Activity Studies and Crystal Structures of Catalytically Deficient Mutants of Cellobiohydrolase I from Trichoderma Reesei Authors: Stahlberg, J. / Divne, C. / Koivula, A. / Piens, K. / Claeyssens, M. / Teeri, T.T. / Jones, T.A. #2: Journal: J.Mol.Biol. / Year: 1998 Title: High-Resolution Crystal Structures Reveal How a Cellulose Chain is Bound in the 50A Long Tunnel of Cellobiohydrolase-I from Trichoderma Reesei Authors: Divne, C. / Stahlberg, J. / Teeri, T.T. / Jones, T.A. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1q2b.cif.gz | 97.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1q2b.ent.gz | 77.6 KB | Display | PDB format |
PDBx/mmJSON format | 1q2b.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1q2b_validation.pdf.gz | 446.4 KB | Display | wwPDB validaton report |
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Full document | 1q2b_full_validation.pdf.gz | 448 KB | Display | |
Data in XML | 1q2b_validation.xml.gz | 20.4 KB | Display | |
Data in CIF | 1q2b_validation.cif.gz | 30.6 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q2/1q2b ftp://data.pdbj.org/pub/pdb/validation_reports/q2/1q2b | HTTPS FTP |
-Related 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
#1: Protein | Mass: 46044.848 Da / Num. of mol.: 1 / Fragment: CATALYTIC DOMAIN 1-434 / Mutation: D241C, D249C Source method: isolated from a genetically manipulated source Source: (gene. exp.) Hypocrea jecorina (fungus) / Strain: QM9414 / Gene: cbh1 / Variant: VTT-D-93201 / Plasmid: PEM-F5 / Production host: Hypocrea jecorina (fungus) / Strain (production host): VTT-D-93201 References: UniProt: P62694, cellulose 1,4-beta-cellobiosidase (non-reducing end) | ||
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#2: Sugar | ChemComp-NAG / | ||
#3: Chemical | #4: 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: 1.89 Å3/Da / Density % sol: 34.5 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6 Details: PEG 5000 monomethyl ether, sodium morpholine-ethane-sulphonic acid, glycerol, cobalt chloride, sodium acetate, pH 6.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5 / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: MAX II / Beamline: I711 / Wavelength: 0.986 / Wavelength: 0.986 Å |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Oct 23, 1998 / Details: mirror |
Radiation | Monochromator: Single asymmetrically cut Si(111) crystal with horizontal diffraction plane Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.986 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→40 Å / Num. all: 46521 / Num. obs: 46521 / % possible obs: 92 % / Observed criterion σ(I): 0 / Redundancy: 4.11 % / Biso Wilson estimate: 12.1 Å2 / Rmerge(I) obs: 0.053 / Net I/σ(I): 19.2 |
Reflection shell | Resolution: 1.6→1.66 Å / Redundancy: 0.38 % / Rmerge(I) obs: 0.147 / % possible all: 95.8 |
Reflection | *PLUS Highest resolution: 1.6 Å / Lowest resolution: 40 Å / Redundancy: 4 % |
Reflection shell | *PLUS % possible obs: 95.8 % / Redundancy: 3.8 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.6→40 Å / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
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Refinement step | Cycle: LAST / Resolution: 1.6→40 Å
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Refine LS restraints |
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Refinement | *PLUS Lowest resolution: 40 Å / Num. reflection obs: 45625 / % reflection Rfree: 2 % | |||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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