+Open data
-Basic information
Entry | Database: PDB / ID: 1oyq | |||||||||
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Title | TRYPSIN INHIBITOR COMPLEX | |||||||||
Components | Trypsin, cationic | |||||||||
Keywords | HYDROLASE / BLOOD COAGULATION / FACTOR XA / INHIBITOR COMPLEXES / SERINE PROTEINASE / BLOOD COAGULATION CASCADE | |||||||||
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 / FOURIER SYNTHESIS / Resolution: 1.9 Å | |||||||||
Authors | Nar, H. | |||||||||
Citation | Journal: Structure / Year: 2001 Title: Structural Basis for Inhibition Promiscuity of Dual Specific Thrombin and Factor Xa Blood Coagulation Inhibitors Authors: Nar, H. / Bauer, M. / Schmid, A. / Stassen, J. / Wienen, W. / Priepke, H.W. / Kauffmann, I.K. / Ries, U.J. / Hauel, N.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1oyq.cif.gz | 55 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1oyq.ent.gz | 42.2 KB | Display | PDB format |
PDBx/mmJSON format | 1oyq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1oyq_validation.pdf.gz | 737.9 KB | Display | wwPDB validaton report |
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Full document | 1oyq_full_validation.pdf.gz | 741.5 KB | Display | |
Data in XML | 1oyq_validation.xml.gz | 13.1 KB | Display | |
Data in CIF | 1oyq_validation.cif.gz | 18.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/oy/1oyq ftp://data.pdbj.org/pub/pdb/validation_reports/oy/1oyq | 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: 23324.287 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / Organ: PANCREAS / References: UniProt: P00760, trypsin |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-SO4 / |
#4: Chemical | ChemComp-T87 / [( |
#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: 2.71 Å3/Da / Density % sol: 54.21 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RU200 / Wavelength: 1.54 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Sep 22, 1997 / Details: MIRRORS |
Radiation | Monochromator: YALE MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→20 Å / Num. obs: 57423 / % possible obs: 94.6 % / Observed criterion σ(I): 1 / Biso Wilson estimate: 13.1 Å2 / Rmerge(I) obs: 0.046 / Net I/σ(I): 15.6 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.9→8 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 1448599.34 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Displacement parameters | Biso mean: 21.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→8 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→2.02 Å / Rfactor Rfree error: 0.018 / Total num. of bins used: 6
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Xplor file |
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