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Open data
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Basic information
Entry | Database: PDB / ID: 1bvw | ||||||
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Title | CELLOBIOHYDROLASE II (CEL6A) FROM HUMICOLA INSOLENS | ||||||
![]() | PROTEIN (CELLOBIOHYDROLASE II) | ||||||
![]() | HYDROLASE / CELLULOSE DEGRADATION / CELLOBIOHYDROLASE / CELLULASE / GLYCOSIDE HYDROLASE FAMILY 6 | ||||||
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 | ![]() ![]() ![]() | ||||||
![]() | Varrot, A. / Davies, G.J. / Schulein, M. | ||||||
![]() | ![]() Title: Crystal structure of the catalytic core domain of the family 6 cellobiohydrolase II, Cel6A, from Humicola insolens, at 1.92 A resolution. Authors: Varrot, A. / Hastrup, S. / Schulein, M. / Davies, G.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 99.4 KB | Display | ![]() |
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PDB format | ![]() | 72.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 467.5 KB | Display | ![]() |
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Full document | ![]() | 469.3 KB | Display | |
Data in XML | ![]() | 20.7 KB | Display | |
Data in CIF | ![]() | 33.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1cb2S S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 39737.234 Da / Num. of mol.: 1 / Fragment: CATALYTIC CORE DOMAIN RESIDUES 91-450 Source method: isolated from a genetically manipulated source Details: N-LINKED N-ACETYLGLUCOSAMINE ON RESIDUE ASN 141 O-LINKED MANNOSE (ALPHA-LINKED) ON RESIDUE THR 118 O-LINKED MANNOSE (ALPHA-LINKED) ON RESIDUE SER 127 Source: (gene. exp.) ![]() Description: UNDER CONTROL OF THE FUNGAL AMYLASE PROMOTER AND AMYLOGLUCOSIDASE TERMINATOR Production host: ![]() ![]() References: UniProt: Q9C1S9, cellulose 1,4-beta-cellobiosidase (non-reducing end) |
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-Sugars , 2 types, 3 molecules ![](data/chem/img/MAN.gif)
![](data/chem/img/NAG.gif)
![](data/chem/img/NAG.gif)
#2: Sugar | #3: Sugar | ChemComp-NAG / | |
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-Non-polymers , 3 types, 533 molecules ![](data/chem/img/MG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | ChemComp-MG / |
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#5: Chemical | ChemComp-GOL / |
#6: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 42 % Description: SEARCH MODEL WAS THE Y169F MUTANT OF THE TRICHODERMA REESEI CELLOBIOHYDROLASE II | |||||||||||||||||||||||||
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Crystal grow | pH: 7 Details: PROTEIN WAS CONCENTRATED TO 20 MG/ML IN WATER. CRYSTALLISATION IN 200MM MAGNESIUM ACETATE IN 100MM TRIETHANOLAMINE BUFFER AT PH 7.0. PRECIPITANT WAS 22%. POLYETHYLENE GLYCOL 8000. | |||||||||||||||||||||||||
Crystal | *PLUS | |||||||||||||||||||||||||
Crystal grow | *PLUS pH: 7 / 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: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Dec 15, 1997 / Details: TORROIDAL MIRROR |
Radiation | Monochromator: SILICON / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.872 Å / Relative weight: 1 |
Reflection | Resolution: 1.92→20 Å / Num. obs: 90583 / % possible obs: 99.7 % / Observed criterion σ(I): 0 / Redundancy: 3.8 % / Biso Wilson estimate: 13.5 Å2 / Rmerge(I) obs: 0.063 / Rsym value: 0.063 / Net I/σ(I): 20 |
Reflection shell | Resolution: 1.92→1.99 Å / Redundancy: 3.83 % / Rmerge(I) obs: 0.187 / Mean I/σ(I) obs: 7.3 / Rsym value: 0.187 / % possible all: 99.1 |
Reflection shell | *PLUS % possible obs: 99.1 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1CB2 Resolution: 1.92→15 Å / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 14.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.92→15 Å
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Refine LS restraints |
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Software | *PLUS Name: REFMAC / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 15 Å / σ(F): 0 / % reflection Rfree: 5 % / Rfactor obs: 0.14 / Rfactor Rfree: 0.21 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 14.3 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS Type: p_plane_restr / Dev ideal: 0.019 / Dev ideal target: 0.03 |