+Open data
-Basic information
Entry | Database: PDB / ID: 1wbu | ||||||
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Title | Fragment based lead discovery using crystallography | ||||||
Components | RIBONUCLEASE | ||||||
Keywords | HYDROLASE / RIBONUCLEASE / INHIBITOR / ENDONUCLEASE / GLYCOPROTEIN | ||||||
Function / homology | Function and homology information pancreatic ribonuclease / ribonuclease A activity / RNA nuclease activity / nucleic acid binding / lyase activity / defense response to Gram-positive bacterium / extracellular region Similarity search - Function | ||||||
Biological species | BOS TAURUS (cattle) | ||||||
Method | X-RAY DIFFRACTION / OTHER / Resolution: 1.9 Å | ||||||
Authors | Cleasby, A. / Hartshorn, M.J. / Murray, C.W. / Jhoti, H. / Tickle, I.J. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2005 Title: Fragment-Based Lead Discovery Using X-Ray Crystallography Authors: Hartshorn, M.J. / Murray, C.W. / Cleasby, A. / Frederickson, M. / Tickle, I.J. / Jhoti, H. | ||||||
History |
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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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1wbu.cif.gz | 58.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1wbu.ent.gz | 47.8 KB | Display | PDB format |
PDBx/mmJSON format | 1wbu.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1wbu_validation.pdf.gz | 386.7 KB | Display | wwPDB validaton report |
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Full document | 1wbu_full_validation.pdf.gz | 390.3 KB | Display | |
Data in XML | 1wbu_validation.xml.gz | 6.6 KB | Display | |
Data in CIF | 1wbu_validation.cif.gz | 10.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/wb/1wbu ftp://data.pdbj.org/pub/pdb/validation_reports/wb/1wbu | HTTPS FTP |
-Related structure data
Related structure data | 1w7hC 1waxC 1wayC 1wbgC 1wboC 1wccC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 13708.326 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) BOS TAURUS (cattle) / Organ: PANCREAS References: UniProt: P61824, UniProt: P61823*PLUS, EC: 3.1.27.5 #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.81 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU / Wavelength: 1.5418 |
Detector | Type: MSC / Detector: CCD / Details: MIRRORS |
Radiation | Monochromator: NI FILTER / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.8→19 Å / Num. obs: 20393 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 3.7 % / Rmerge(I) obs: 0.04 |
-Processing
Software |
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Refinement | Method to determine structure: OTHER / Resolution: 1.9→19 Å / Data cutoff high absF: 10000 / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 1.9→19 Å
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Refine LS restraints |
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Xplor file |
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