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- PDB-3prk: INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHL... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3prk | ||||||
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Title | INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION | ||||||
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![]() | HYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||
Function / homology | ![]() peptidase K / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Wolf, W.M. / Bajorath, J. / Mueller, A. / Raghunathan, S. / Singh, T.P. / Hinrichs, W. / Saenger, W. | ||||||
![]() | ![]() Title: Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution. Authors: Wolf, W.M. / Bajorath, J. / Muller, A. / Raghunathan, S. / Singh, T.P. / Hinrichs, W. / Saenger, W. #1: ![]() Title: Synchrotron X-Ray Data Collection and Restrained Least-Squares Refinement of the Crystal Structure of Proteinase K at 1.5 Angstroms Resolution Authors: Betzel, C. / Pal, G.P. / Saenger, W. #2: ![]() Title: Crystallization of the Bifunctional Proteinase(Slash)Amylase Inhibitor Pki-3 and of its Complex with Proteinase K Authors: Pal, G.P. / Betzel, C. / Jany, K.-D. / Saenger, W. #3: ![]() Title: Active-Site Geometry of Proteinase K. Crystallographic Study of its Complex with a Dipeptide Chloromethyl Ketone Inhibitor Authors: Betzel, C. / Pal, G.P. / Struck, M. / Jany, K.-D. / Saenger, W. #4: ![]() Title: Three-Dimensional Structure of Fungal Proteinase K Reveals Similarity to Bacterial Subtilisin Authors: Paehler, A. / Banerjee, A. / Dattagupta, J.K. / Fujiwara, T. / Lindner, K. / Pal, G.P. / Suck, D. / Weber, G. / Saenger, W. #5: ![]() Title: Crystallization of the Fungal Enzyme Proteinase K and Amino Acid Composition Authors: Dattagupta, J.K. / Fujiwara, T. / Grishin, E.V. / Lindner, K. / Manor, P.C. / Pieniazek, N.J. / Saenger, W. / Suck, D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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PDBx/mmCIF format | ![]() | 64.7 KB | Display | ![]() |
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PDB format | ![]() | 50.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Atom site foot note | 1: CIS PROLINE - PRO E 171 | |||||||||
Components on special symmetry positions |
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Components
#1: Protein | Mass: 28930.783 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() |
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#2: Protein/peptide | |
#3: Chemical | ChemComp-CA / |
#4: Water | ChemComp-HOH / |
Compound details | THE CHLOROMETHYLKETONE GROUP IS COVALENTLY LINKED WITH THE ACTIVE SITE FUNCTIONAL GROUPS NE2 HIS E ...THE CHLOROMETH |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.83 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 7.5 / Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.2 Å / Num. obs: 11864 / Observed criterion σ(F): 1 / Num. measured all: 53620 / Rmerge F obs: 0.098 / Biso Wilson estimate: 14.6 Å2 |
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Processing
Software | Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
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Refinement | Rfactor obs: 0.198 / Highest resolution: 2.2 Å | ||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2.2 Å
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Refine LS restraints |
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Software | *PLUS Name: TNT / Classification: refinement | ||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.2 Å / Lowest resolution: 10 Å / Num. reflection obs: 11864 / Rfactor obs: 0.198 | ||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 15 Å2 | ||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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