[English] 日本語
![](img/lk-miru.gif)
- PDB-2v3r: Hypocrea jecorina Cel7A in complex with (S)-dihydroxy-phenanthrenolol -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 2v3r | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | Hypocrea jecorina Cel7A in complex with (S)-dihydroxy-phenanthrenolol | |||||||||
![]() | EXOGLUCANASE 1 | |||||||||
![]() | HYDROLASE / GLYCOSIDASE / GLYCOPROTEIN / CARBOHYDRATE METABOLISM / POLYSACCHARIDE DEGRADATION / PYRROLIDONE CARBOXYLIC ACID / HYDROLASE(O-GLYCOSYL) / CELLULOSE DEAGRADATION / CHIRAL SEPARATION / CELLULOSE DEGRADATION | |||||||||
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 | ![]() ![]() ![]() | |||||||||
![]() | Fagerstrom, A. / Sandgren, M. / Berg, U. / Stahlberg, J. | |||||||||
![]() | ![]() Title: A Study of the Chiral Recognition Mechanisms of Cellobiohydrolase Cel7A for Ligands Based on the Beta-Blocker Motif: Crystal Structures, Microcalorimetry and Computational Modelling of Cel7A-Inhibitor Complexes. Authors: Fagerstrom, A. / Liljefors, T. / Stahlberg, J. / Sandgren, M. / Berg, U. / Isaksson, R. | |||||||||
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 | ![]() | 119.8 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 90.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 767 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 779.6 KB | Display | |
Data in XML | ![]() | 28.1 KB | Display | |
Data in CIF | ![]() | 43.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2v3iC ![]() 1dy4S ![]() 2jf8 S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
| ||||||||
Components on special symmetry positions |
|
-
Components
#1: Protein | Mass: 46010.703 Da / Num. of mol.: 1 / Fragment: CATALYTIC MODULE, RESIDUES 18-451 / Source method: isolated from a natural source Details: SYNONYM FOR STRAIN IS TRICHODERMA REESEI, WHICH IS A CLONAL DERIVATIVE OF H. JECORINA Source: (natural) ![]() References: UniProt: P62694, cellulose 1,4-beta-cellobiosidase (non-reducing end) | ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
#2: Sugar | #3: Chemical | #4: Chemical | ChemComp-XX7 / | #5: Water | ChemComp-HOH / | Compound details | BIOLOGICAL | Sequence details | PCA A 1 UNI P62694 GLN 18 MODIFIED RESIDUE | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2 Å3/Da / Density % sol: 38.6 % / Description: NONE |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 Details: POLYETHYLENE GLYCOL MONOMETHYL ETHER, GLYCEROL, COBALT CHLORIDE, SODIUM ACETATE PH 5.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298 K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Oct 7, 2005 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.082 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→27.6 Å / Num. obs: 50461 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 7.3 % / Rmerge(I) obs: 0.08 / Net I/σ(I): 21 |
Reflection shell | Resolution: 1.6→1.69 Å / Redundancy: 7.2 % / Rmerge(I) obs: 0.36 / Mean I/σ(I) obs: 8 / % possible all: 100 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1DY4 Resolution: 1.6→27.64 Å / Cor.coef. Fo:Fc: 0.973 / Cor.coef. Fo:Fc free: 0.951 / SU B: 1.444 / SU ML: 0.052 / Cross valid method: THROUGHOUT / ESU R: 0.08 / ESU R Free: 0.086 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ALTERNATE CONFORMATIONS WERE MODELLED FOR RESIDUES A 7, 13, 47, 55, 98, 111, 114, 119, 159, 194, 195, 15, 246, 247, 249, 253, 254, 328, 342, 357, 371, 388, 407.
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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: 10.66 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.6→27.64 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|