[English] 日本語
![](img/lk-miru.gif)
- PDB-1h46: The catalytic module of Cel7D from Phanerochaete chrysosporium as... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 1h46 | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | The catalytic module of Cel7D from Phanerochaete chrysosporium as a chiral selector: Structural studies of its complex with the b-blocker (R)-propranolol | |||||||||
![]() | EXOGLUCANASE I | |||||||||
![]() | HYDROLASE / CELLULASE / CELLOBIOHYDROLASE / GLYCOSIDE HYDROLASE / ADRENERGIC BETA-BLOCKER / ENANTIOSELECTIVITY / ENANTIOMER SEPARATION | |||||||||
Function / homology | ![]() Hydrolases; Glycosylases; Glycosidases, i.e. enzymes that hydrolyse O- and S-glycosyl compounds / cellulose binding / cellulose catabolic process / hydrolase activity, hydrolyzing O-glycosyl compounds / extracellular region Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Munoz, I.G. / Mowbray, S.L. / Stahlberg, J. | |||||||||
![]() | ![]() Title: The Catalytic Module of Cel7D from Phanerochaete Chrysosporium as a Chiral Selector: Structural Studies of its Complex with the Beta Blocker (R)-Propranolol Authors: Munoz, I.G. / Mowbray, S.L. / Stahlberg, J. | |||||||||
History |
| |||||||||
Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 187.2 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 147.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 1gpiS S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 45777.141 Da / Num. of mol.: 1 / Fragment: CATALYTIC MODULE, RESIDUES 19-449 / Source method: isolated from a natural source Details: EXTRACELLULAR PROTEIN OBTAINED FROM THE FUNGUS PHANEROCHAETE CHRYSOSPORIUM Source: (natural) ![]() References: UniProt: Q09431, UniProt: Q7LHI2*PLUS, cellulose 1,4-beta-cellobiosidase (non-reducing end) |
---|---|
#2: Sugar | ChemComp-NAG / |
#3: Chemical | ChemComp-RNP / ( |
#4: Water | ChemComp-HOH / |
Compound details | HYDROLYSES 1,4-BETA-D-GLUCOSIDIC LINKAGES IN CELLULOSE AND CELLOTETRAOSE PRODUCING CELLOBIOSE. ...HYDROLYSES |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 42 % | ||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Method: vapor diffusion, hanging drop / pH: 7 Details: HANGING-DROP VAPOUR DIFFUSION EXPERIMENTS INCLUDED 18 MG/ML PROTEIN, 100 MM TRIS-HCL, PH 7.0, 5 MM CACL2, 22.5% POLYETHYLENE GLYCOL 5000, 12% GLYCEROL AND 12.5% (R)-PROPRANOLOL. | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 110 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD / Date: Nov 15, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9392 Å / Relative weight: 1 |
Reflection | Resolution: 1.52→40 Å / Num. obs: 58656 / % possible obs: 100 % / Redundancy: 4.8 % / Rmerge(I) obs: 0.085 / Net I/σ(I): 10 |
Reflection shell | Resolution: 1.52→1.6 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.405 / Mean I/σ(I) obs: 4.4 / % possible all: 100 |
Reflection | *PLUS Lowest resolution: 48.22 Å / % possible obs: 100 % |
Reflection shell | *PLUS % possible obs: 100 % |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1GPI Resolution: 1.52→40 Å / Cor.coef. Fo:Fc: 0.968 / Cor.coef. Fo:Fc free: 0.948 / SU B: 4.56 / SU ML: 0.069 / Cross valid method: THROUGHOUT / ESU R: 0.102 / ESU R Free: 0.086 / Stereochemistry target values: MAXIMUM LIKELIHOOD
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 21.89 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.52→40 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|