+Open data
-Basic information
Entry | Database: PDB / ID: 8s96 | ||||||
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Title | RNase A-Adenosine 5'-Heptaphosphate (RNaseA.p7A) | ||||||
Components | Ribonuclease pancreatic | ||||||
Keywords | RNA BINDING PROTEIN/INHIBITOR / RNase A / oligophosphate / inhibitor / nucleoside heptaphosphate / protein-ligand complex / RNA BINDING PROTEIN-INHIBITOR complex | ||||||
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 / MOLECULAR REPLACEMENT / Resolution: 1.68 Å | ||||||
Authors | Park, G. / Cummins, C. | ||||||
Funding support | United States, 1items
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Citation | Journal: To Be Published Title: Experimental and Computational Studies for the Effect of Lengthening the Phosphate Chain of Nucleotide on the RNase A Inhibitors. Authors: Park, G. / Cummins, C. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8s96.cif.gz | 79 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8s96.ent.gz | 48.3 KB | Display | PDB format |
PDBx/mmJSON format | 8s96.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8s96_validation.pdf.gz | 1.1 MB | Display | wwPDB validaton report |
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Full document | 8s96_full_validation.pdf.gz | 1.1 MB | Display | |
Data in XML | 8s96_validation.xml.gz | 14.5 KB | Display | |
Data in CIF | 8s96_validation.cif.gz | 19.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/s9/8s96 ftp://data.pdbj.org/pub/pdb/validation_reports/s9/8s96 | HTTPS FTP |
-Related structure data
Related structure data | 8gc9C 1afuS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-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) / References: UniProt: P61823, pancreatic ribonuclease #2: Chemical | Mass: 827.101 Da / Num. of mol.: 2 / Source method: obtained synthetically / Formula: C10H20N5O25P7 / Feature type: SUBJECT OF INVESTIGATION #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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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: 1.96 Å3/Da / Density % sol: 37.21 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 25% PEG4000, 20 mM citrate, pH 6, crystal soaked in 50 mM ligand, 30% PEG4000, 25% glycerol, 20 mM citrate |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR-H / Wavelength: 1.544178 Å |
Detector | Type: APEX II CCD / Detector: CCD / Date: Feb 13, 2023 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.544178 Å / Relative weight: 1 |
Reflection | Resolution: 1.68→34.48 Å / Num. obs: 24657 / % possible obs: 99.9 % / Redundancy: 10.43 % / Biso Wilson estimate: 22.69 Å2 / Rpim(I) all: 0.0292 / Net I/σ(I): 3.55 |
Reflection shell | Resolution: 1.68→1.78 Å / Num. unique obs: 3862 / Rpim(I) all: 0.396 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 1AFU Resolution: 1.68→34.48 Å / SU ML: 0.2042 / Cross valid method: FREE R-VALUE / σ(F): 1.33 / Phase error: 28.616 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.96 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.68→34.48 Å
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Refine LS restraints |
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LS refinement shell |
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