+Open data
-Basic information
Entry | Database: PDB / ID: 1auj | ||||||
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Title | BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | ||||||
Components | TRYPSIN | ||||||
Keywords | HYDROLASE / SERINE PROTEINASE | ||||||
Function / homology | Function and homology information trypsin / serpin family protein binding / serine protease inhibitor complex / digestion / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / DIFFERENCE / Resolution: 2.1 Å | ||||||
Authors | Alexander, R. / Smallwood, A. / Kettner, C. | ||||||
Citation | Journal: Biochemistry / Year: 1997 Title: New inhibitors of thrombin and other trypsin-like proteases: hydrogen bonding of an aromatic cyano group with a backbone amide of the P1 binding site replaces binding of a basic side chain. Authors: Lee, S.L. / Alexander, R.S. / Smallwood, A. / Trievel, R. / Mersinger, L. / Weber, P.C. / Kettner, C. #1: Journal: Biochemistry / Year: 1995 Title: Kinetic and Crystallographic Studies of Thrombin with Ac-(D)Phe-Pro-Boroarg-Oh and its Lysine, Amidine, Homolysine, and Ornithine Analogs Authors: Weber, P.C. / Lee, S.L. / Lewandowski, F.A. / Schadt, M.C. / Chang, C.W. / Kettner, C.A. #2: Journal: FEBS Lett. / Year: 1975 Title: The Single Calcium-Binding Site of Crystallin Bovin Beta-Trypsin Authors: Bode, W. / Schwager, P. #3: Journal: J.Mol.Biol. / Year: 1975 Title: The Refined Crystal Structure of Bovine Beta-Trypsin at 1.8 A Resolution. I. Crystallization, Data Collection and Application of Patterson Search Technique Authors: Fehlhammer, H. / Bode, W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1auj.cif.gz | 53.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1auj.ent.gz | 41.7 KB | Display | PDB format |
PDBx/mmJSON format | 1auj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/au/1auj ftp://data.pdbj.org/pub/pdb/validation_reports/au/1auj | HTTPS FTP |
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-Related structure data
Similar structure data |
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-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-PPB / |
#4: 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: 2.33 Å3/Da / Density % sol: 47 % | ||||||||||||||||||
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Crystal grow | pH: 6.6 / Details: pH 6.6 | ||||||||||||||||||
Crystal | *PLUS | ||||||||||||||||||
Crystal grow | *PLUS pH: 7.5 / Method: batch method / Details: Krieger, M., (1974) J. Mol. Biol., 83, 209. | ||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 273 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU RUH2R / Wavelength: 1.5418 |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Sep 1, 1995 |
Radiation | Monochromator: NI FILTER / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Highest resolution: 2.1 Å / % possible obs: 90 % / Observed criterion σ(I): 1 / Rsym value: 0.052 |
Reflection | *PLUS Rmerge(I) obs: 0.052 |
-Processing
Software |
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Refinement | Method to determine structure: DIFFERENCE / Resolution: 2.1→8 Å / σ(F): 1 /
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Refinement step | Cycle: LAST / Resolution: 2.1→8 Å
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Refine LS restraints |
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