+Open data
-Basic information
Entry | Database: PDB / ID: 4u5k | |||||||||
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Title | Complex structure of mutant CtCel5E (E314A) with cellobiose | |||||||||
Components | Endoglucanase H | |||||||||
Keywords | HYDROLASE / bi-functional cellulase/xylanase | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Clostridium thermocellum ATCC 27405 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.65 Å | |||||||||
Authors | Guo, R.T. / Huang, C.H. / Wu, T.H. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2015 Title: Biochemical Characterization and Structural Analysis of a Bifunctional Cellulase/Xylanase from Clostridium thermocellum Authors: Yuan, S.F. / Wu, T.H. / Lee, H.L. / Hsieh, H.Y. / Lin, W.L. / Yang, B. / Chang, C.K. / Li, Q. / Gao, J. / Huang, C.H. / Ho, M.C. / Guo, R.T. / Liang, P.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4u5k.cif.gz | 154.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4u5k.ent.gz | 117.7 KB | Display | PDB format |
PDBx/mmJSON format | 4u5k.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/u5/4u5k ftp://data.pdbj.org/pub/pdb/validation_reports/u5/4u5k | HTTPS FTP |
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-Related structure data
Related structure data | 4u3aSC 4u5iC 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 46192.414 Da / Num. of mol.: 2 / Fragment: UNP residues 290-654 / Mutation: E314A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Clostridium thermocellum ATCC 27405 (bacteria) Gene: celH, Cthe_1472 / Plasmid: pHTPP13 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: P16218, cellulase #2: Polysaccharide | #3: 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: 1.94 Å3/Da / Density % sol: 36.49 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 4.6 Details: 0.2M ammonium acetate, 0.1M sodium acetate, 21% (W/V) PEG 4000 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: BL13C1 / Wavelength: 0.97622 Å |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jan 1, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.97622 Å / Relative weight: 1 |
Reflection | Resolution: 2.65→25 Å / Num. obs: 22003 / % possible obs: 99.8 % / Redundancy: 5.1 % / Rsym value: 0.119 / Net I/σ(I): 11.6 |
Reflection shell | Resolution: 2.65→2.74 Å / Redundancy: 5.1 % / Rmerge(I) obs: 0.488 / Mean I/σ(I) obs: 3 / % possible all: 100 |
-Processing
Software | Name: CNS / Version: 1.21 / Classification: refinement | ||||||||||||||||
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 4U3A Resolution: 2.65→25 Å / Cross valid method: THROUGHOUT
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Solvent computation | Bsol: 43.1311 Å2 | ||||||||||||||||
Displacement parameters | Biso mean: 40.2737 Å2
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Refinement step | Cycle: LAST / Resolution: 2.65→25 Å
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