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- PDB-2cel: ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUN... -
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Open data
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Basic information
Entry | Database: PDB / ID: 2cel | |||||||||
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Title | ACTIVE-SITE MUTANT E212Q DETERMINED AT PH 6.0 WITH NO LIGAND BOUND IN THE ACTIVE SITE | |||||||||
![]() | 1,4-BETA-D-GLUCAN CELLOBIOHYDROLASE I | |||||||||
![]() | HYDROLASE / CELLULOSE DEGRADATION / GLYCOSIDASE / GLYCOPROTEIN | |||||||||
Function / homology | ![]() 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 | ![]() | |||||||||
Method | ![]() | |||||||||
![]() | Divne, C. / Stahlberg, J. / Jones, T.A. | |||||||||
![]() | ![]() 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. #1: ![]() Title: The Three-Dimensional Crystal Structure of the Catalytic Core of Cellobiohydrolase I from Trichoderma Reesei Authors: Divne, C. / Stahlberg, J. / Reinikainen, T. / Ruohonen, L. / Pettersson, G. / Knowles, J.K. / Teeri, T.T. / Jones, T.A. #2: ![]() Title: Crystallization and Preliminary X-Ray Studies on the Core Proteins of Cellobiohydrolase I and Endoglucanase I from Trichoderma Reesei Authors: Divne, C. / Sinning, I. / Stahlberg, J. / Pettersson, G. / Bailey, M. / Siika-Aho, M. / Margolles-Clark, E. / Teeri, T. / Jones, T.A. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 165.3 KB | Display | ![]() |
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PDB format | ![]() | 137.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 451.6 KB | Display | ![]() |
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Full document | ![]() | 453.8 KB | Display | |
Data in XML | ![]() | 35.4 KB | Display | |
Data in CIF | ![]() | 51.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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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 oper: (Code: given Matrix: (0.999884, -0.015173, 0.001406), Vector: Details | THERE ARE TWO COPIES OF THE MOLECULE IN THE ASYMMETRIC UNIT. NON-CRYSTALLOGRAPHIC CONSTRAINTS HAVE BEEN APPLIED DURING REFINEMENT. | |
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Components
#1: Protein | Mass: 46067.754 Da / Num. of mol.: 2 / Fragment: CATALYTIC DOMAIN, RESIDUES 1 - 434 / Mutation: E212Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() References: UniProt: P62694, cellulose 1,4-beta-cellobiosidase (non-reducing end) #2: Sugar | #3: Chemical | #4: Water | ChemComp-HOH / | Nonpolymer details | THERE IS A CALCIUM (+II) COUNTER ION COORDINATED BY GLU 295 AND GLU 325 FROM ONE MOLECULE, TOGETHER ...THERE IS A CALCIUM (+II) COUNTER ION COORDINATE | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 40 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 6 Details: 4.5 MM MES PH 6.0, 4.5% MONOMETHYL ETHER PEG 5000, 4.5 MM CACL2 | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Wavelength: 1.5418 |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Feb 23, 1995 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2→46.6 Å / Num. obs: 54942 / % possible obs: 99.3 % / Observed criterion σ(I): 0 / Redundancy: 6 % / Rmerge(I) obs: 0.067 / Net I/σ(I): 8.1 |
Reflection shell | Resolution: 2→2.05 Å / Redundancy: 4.8 % / Rmerge(I) obs: 0.205 / Mean I/σ(I) obs: 3.4 / % possible all: 97.7 |
Reflection | *PLUS Num. measured all: 325254 |
Reflection shell | *PLUS % possible obs: 97.7 % |
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Processing
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Refinement | Resolution: 2→7.5 Å / σ(F): 0
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Displacement parameters | Biso mean: 19.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→7.5 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: STRICT NCS CONSTRAINTS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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