+Open data
-Basic information
Entry | Database: PDB / ID: 1f0u | ||||||
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Title | BOVINE TRYPSIN COMPLEXED WITH RPR128515 | ||||||
Components | TRYPSIN | ||||||
Keywords | HYDROLASE / Protein-inhibitor complex | ||||||
Function / homology | Function and homology information cap snatching / virion component / hydrolase activity / RNA-directed RNA polymerase / viral RNA genome replication / RNA-dependent RNA polymerase activity / nucleotide binding / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.9 Å | ||||||
Authors | Maignan, S. / Guilloteau, J.P. / Pouzieux, S. / Choi-Sledeski, Y.M. / Becker, M.R. / Klein, S.I. / Ewing, W.R. / Pauls, H.W. / Spada, A.P. / Mikol, V. | ||||||
Citation | Journal: J.Med.Chem. / Year: 2000 Title: Crystal structures of human factor Xa complexed with potent inhibitors. Authors: Maignan, S. / Guilloteau, J.P. / Pouzieux, S. / Choi-Sledeski, Y.M. / Becker, M.R. / Klein, S.I. / Ewing, W.R. / Pauls, H.W. / Spada, A.P. / Mikol, V. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1f0u.cif.gz | 59.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1f0u.ent.gz | 41.7 KB | Display | PDB format |
PDBx/mmJSON format | 1f0u.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1f0u_validation.pdf.gz | 683.6 KB | Display | wwPDB validaton report |
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Full document | 1f0u_full_validation.pdf.gz | 684.6 KB | Display | |
Data in XML | 1f0u_validation.xml.gz | 11.5 KB | Display | |
Data in CIF | 1f0u_validation.cif.gz | 16.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/f0/1f0u ftp://data.pdbj.org/pub/pdb/validation_reports/f0/1f0u | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 25444.717 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-SO4 / |
#4: Chemical | ChemComp-RPR / |
#5: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.77 Å3/Da / Density % sol: 55.53 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 292 K / Method: vapor diffusion, hanging drop / pH: 6 Details: 1.85-1.9M ammonium sulfate, 50 mM Mes-NaOH pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 19 ℃ | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 292 K |
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Diffraction source | Source: ROTATING ANODE / Type: ENRAF-NONIUS FR571 / Wavelength: 1.5418 |
Detector | Type: MACSCIENCE DIP100S / Detector: IMAGE PLATE / Date: Dec 1, 1996 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20 Å / Num. all: 21256 / Num. obs: 21256 / % possible obs: 93 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 3.6 % / Biso Wilson estimate: 20 Å2 / Rmerge(I) obs: 0.075 / Net I/σ(I): 7 |
Reflection shell | Resolution: 1.9→1.97 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.165 / % possible all: 91.7 |
Reflection | *PLUS Highest resolution: 1.8 Å / Num. obs: 26598 / % possible obs: 99.7 % / Rmerge(I) obs: 0.039 |
Reflection shell | *PLUS % possible obs: 97.3 % / Redundancy: 4.3 % / Rmerge(I) obs: 0.135 |
-Processing
Software |
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Refinement | Resolution: 1.9→15 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
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Refinement step | Cycle: LAST / Resolution: 1.9→15 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Version: 3.851 / Classification: refinement | |||||||||||||||
Refinement | *PLUS Highest resolution: 1.8 Å / Lowest resolution: 8 Å / σ(F): 0 / Rfactor obs: 0.179 | |||||||||||||||
Solvent computation | *PLUS | |||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||
Refine LS restraints | *PLUS
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