+
Open data
-
Basic information
Entry | Database: PDB / ID: 7pqr | |||||||||
---|---|---|---|---|---|---|---|---|---|---|
Title | LsAA9A expressed in E. coli | |||||||||
![]() | Auxiliary activity 9 | |||||||||
![]() | OXIDOREDUCTASE / Copper binding protein / Beta-sandwich fold / Auxillary | |||||||||
Function / homology | ![]() cellulose binding / cellulase / cellulase activity / cellulose catabolic process / extracellular region / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() ![]() ![]() | |||||||||
![]() | Muderspach, S.J. / Metherall, J. / Ipsen, J. / Rollan, C.H. / Norholm, M. / Johansen, K.S. / Lo Leggio, L. | |||||||||
Funding support | ![]()
| |||||||||
![]() | ![]() Title: Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding. Authors: Tandrup, T. / Muderspach, S.J. / Banerjee, S. / Santoni, G. / Ipsen, J.O. / Hernandez-Rollan, C. / Norholm, M.H.H. / Johansen, K.S. / Meilleur, F. / Lo Leggio, L. | |||||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 73.9 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 52.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 604.3 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 604.3 KB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 19.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7pxiC ![]() 7pxjC ![]() 7pxkC ![]() 7pxlC ![]() 7pxmC ![]() 7pxnC ![]() 7pxrC ![]() 7pxsC ![]() 7pxtC ![]() 7pxuC ![]() 7pxvC ![]() 7pxwC ![]() 7pydC ![]() 7pyeC ![]() 7pyfC ![]() 7pygC ![]() 7pyhC ![]() 7pyiC ![]() 7pylC ![]() 7pymC ![]() 7pynC ![]() 7pyoC ![]() 7pypC ![]() 7pyqC ![]() 7pyuC ![]() 7pywC ![]() 7pyxC ![]() 7pyyC ![]() 7pyzC ![]() 7pz0C ![]() 7pz3C ![]() 7pz4C ![]() 7pz5C ![]() 7pz6C ![]() 7pz7C ![]() 7pz8C ![]() 5achS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data | Similarity search - Function & homology ![]() |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 25259.832 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Production host: ![]() ![]() References: UniProt: A0A0S2GKZ1 |
---|
-Non-polymers , 5 types, 455 molecules ![](data/chem/img/ACT.gif)
![](data/chem/img/CU.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CU.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/SO4.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-ACT / #3: Chemical | ChemComp-CU / | #4: Chemical | ChemComp-CL / #5: Chemical | #6: Water | ChemComp-HOH / | |
---|
-Details
Has ligand of interest | Y |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.6 Å3/Da / Density % sol: 52.7 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 4.5 Details: 0.1 M sodium acetate pH 4.5, 1.8 M ammonium sulphate. |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Jun 26, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.12713 Å / Relative weight: 1 |
Reflection | Resolution: 1.3→48.92 Å / Num. obs: 63029 / % possible obs: 99.4 % / Redundancy: 6.14 % / CC1/2: 0.999 / Rrim(I) all: 0.077 / Net I/σ(I): 12.2 |
Reflection shell | Resolution: 1.3→1.33 Å / Redundancy: 3.06 % / Mean I/σ(I) obs: 1.09 / Num. unique obs: 8661 / CC1/2: 0.482 / Rrim(I) all: 1.25 / % possible all: 93.3 |
-Phasing
Phasing | Method: ![]() |
---|
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 5ACH Resolution: 1.3→48.92 Å / Cor.coef. Fo:Fc: 0.984 / Cor.coef. Fo:Fc free: 0.981 / WRfactor Rfree: 0.1544 / WRfactor Rwork: 0.1311 / FOM work R set: 0.8694 / SU B: 0.777 / SU ML: 0.031 / SU R Cruickshank DPI: 0.0384 / SU Rfree: 0.0405 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.038 / ESU R Free: 0.041 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES : REFINED INDIVIDUALLY
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 73.62 Å2 / Biso mean: 17.567 Å2 / Biso min: 10.85 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 1.3→48.92 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 1.3→1.334 Å / Rfactor Rfree error: 0 / Total num. of bins used: 20
|