+
Open data
-
Basic information
Entry | Database: PDB / ID: 1auj | ||||||
---|---|---|---|---|---|---|---|
Title | BOVINE TRYPSIN COMPLEXED TO META-CYANO-BENZYLIC INHIBITOR | ||||||
![]() | TRYPSIN | ||||||
![]() | HYDROLASE / SERINE PROTEINASE | ||||||
Function / homology | ![]() 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 | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Alexander, R. / Smallwood, A. / Kettner, C. | ||||||
![]() | ![]() 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: ![]() 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: ![]() Title: The Single Calcium-Binding Site of Crystallin Bovin Beta-Trypsin Authors: Bode, W. / Schwager, P. #3: ![]() 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 |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 57.7 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 41.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 449.3 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 451.7 KB | Display | |
Data in XML | ![]() | 6.4 KB | Display | |
Data in CIF | ![]() | 9.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
---|
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 23324.287 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
---|---|
#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-PPB / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.33 Å3/Da / Density % sol: 47 % | ||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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
|
-Data collection
Diffraction | Mean temperature: 273 K |
---|---|
Diffraction source | Source: ![]() |
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 |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: DIFFERENCE / Resolution: 2.1→8 Å / σ(F): 1 /
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.1→8 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
|