+Open data
-Basic information
Entry | Database: PDB / ID: 3eng | |||||||||
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Title | STRUCTURE OF ENDOGLUCANASE V CELLOBIOSE COMPLEX | |||||||||
Components | ENDOGLUCANASE V CELLOBIOSE COMPLEX | |||||||||
Keywords | GLYCOSYL HYDROLASE / HYDROLASE / ENDOGLUCANASE | |||||||||
Function / homology | Function and homology information | |||||||||
Biological species | Humicola insolens (fungus) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | |||||||||
Authors | Davies, G.J. / Schulein, M. | |||||||||
Citation | Journal: Acta Crystallogr.,Sect.D / Year: 1996 Title: Structure determination and refinement of the Humicola insolens endoglucanase V at 1.5 A resolution. Authors: Davies, G.J. / Dodson, G. / Moore, M.H. / Tolley, S.P. / Dauter, Z. / Wilson, K.S. / Rasmussen, G. / Schulein, M. #1: Journal: Biochemistry / Year: 1995 Title: Structures of Oligosaccharide-Bound Forms of the Endoglucanase V from Humicola Insolens at 1.9 A Resolution Authors: Davies, G.J. / Tolley, S.P. / Henrissat, B. / Hjort, C. / Schulein, M. #2: Journal: Nature / Year: 1993 Title: Structure and Function of Endoglucanase V Authors: Davies, G.J. / Dodson, G.G. / Hubbard, R.E. / Tolley, S.P. / Dauter, Z. / Wilson, K.S. / Hjort, C. / Mikkelsen, J.M. / Rasmussen, G. / Schulein, M. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3eng.cif.gz | 53.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3eng.ent.gz | 40.3 KB | Display | PDB format |
PDBx/mmJSON format | 3eng.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/en/3eng ftp://data.pdbj.org/pub/pdb/validation_reports/en/3eng | HTTPS FTP |
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-Related structure data
Related structure data | 4engC 2engS 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
#1: Protein | Mass: 22884.371 Da / Num. of mol.: 1 / Fragment: CATALYTIC CORE, RESIDUES 1 - 210 / Source method: isolated from a natural source / Source: (natural) Humicola insolens (fungus) / References: UniProt: P43316, cellulase |
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#2: Polysaccharide | beta-D-glucopyranose-(1-4)-beta-D-glucopyranose / beta-cellobiose |
#3: Water | ChemComp-HOH / |
Compound details | ENDOGLUCAN |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.91 Å3/Da / Density % sol: 35.62 % | ||||||||||||||||||||
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Crystal grow | pH: 8 Details: 10MG/ML ENZYME IN 20MM TRIS-HCL BUFFER PH 8.0. PRECIPITANT 18%(W/V) PEG 8K. CO-CRYSTALLISED WITH 5MM CELLOBIOSE | ||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop / Details: Davies, G.J., (1993) Nature, 365, 362. | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: 1993 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20 Å / Num. obs: 13151 / % possible obs: 96.3 % / Observed criterion σ(I): -999 / Redundancy: 3.4 % / Rmerge(I) obs: 0.071 / Net I/σ(I): 16.5 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 2.3 % / Rmerge(I) obs: 0.118 / Mean I/σ(I) obs: 7.44 / % possible all: 78.3 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2ENG Resolution: 1.9→10 Å Details: THIS IS A COMPLEX WITH THE PRODUCT CELLOBIOSE. THIS IS BOUND IN THE +1 AND +2 SUBSITES OF THE ENZYME. THESE ARE LABELLED AS THE E AND F RESIDUES OF CELLOBIOSE. IT WAS SOLVED BY MOLECULAR ...Details: THIS IS A COMPLEX WITH THE PRODUCT CELLOBIOSE. THIS IS BOUND IN THE +1 AND +2 SUBSITES OF THE ENZYME. THESE ARE LABELLED AS THE E AND F RESIDUES OF CELLOBIOSE. IT WAS SOLVED BY MOLECULAR REPLACEMENT USING THE NATIVE EGV STRUCTURE DESCRIBED IN REFERENCE 1 (ABOVE)
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Refinement step | Cycle: LAST / Resolution: 1.9→10 Å
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Refine LS restraints |
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