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- PDB-1jim: STEREOSPECIFIC REACTION OF 3-METHOXY-4-CHLORO-7-AMINOISOCOUMARIN ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1jim | ||||||
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Title | STEREOSPECIFIC REACTION OF 3-METHOXY-4-CHLORO-7-AMINOISOCOUMARIN WITH CRYSTALLINE PORCINE PANCREATIC ELASTASE | ||||||
![]() | PORCINE PANCREATIC ELASTASE | ||||||
![]() | HYDROLASE(SERINE PROTEINASE) | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Meyer, E. | ||||||
![]() | Journal: J.Am.Chem.Soc. / Year: 1985 Title: Stereospecific Reaction of 3-Methoxy-4-Chloro-7-Aminoisocoumarin with Crystalline Porcine Pancreatic Elastase Authors: Meyer Junior, E.F. / Presta, L.G. / Radhakrishnan, R. #1: ![]() Title: Design, Synthesis, and Kinetic Evaluation of a Unique Class of Elastase Inhibitors, the Peptidyl Alpha-Ketobenzoxazoles, and the X-Ray Crystal Structure of the Covalent Complex between Porcine ...Title: Design, Synthesis, and Kinetic Evaluation of a Unique Class of Elastase Inhibitors, the Peptidyl Alpha-Ketobenzoxazoles, and the X-Ray Crystal Structure of the Covalent Complex between Porcine Pancreatic Elastase and Ac-Ala-Pro-Val-2-Benzoxazole Authors: Edwards, P.D. / Meyer Junior, E.F. / Vijayalakshmi, J. / Tuthill, P.A. / Andisik, D.A. / Gomes, B. / Strimpler, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 61.7 KB | Display | ![]() |
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PDB format | ![]() | 45 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 460.3 KB | Display | ![]() |
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Full document | ![]() | 465.8 KB | Display | |
Data in XML | ![]() | 7.7 KB | Display | |
Data in CIF | ![]() | 11.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 25928.031 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Chemical | ChemComp-SO4 / |
#3: Chemical | ChemComp-ICU / |
#4: Water | ChemComp-HOH / |
Sequence details | SEQUENCE ADVISORY NOTICE: DIFFERENCE BETWEEN SWISS-PROT AND PDB SEQUENCE. SWISS-PROT ENTRY NAME: ...SEQUENCE ADVISORY NOTICE: DIFFERENCE |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.16 Å3/Da / Density % sol: 43.18 % |
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 1.8 Å / Num. obs: 15614 / % possible obs: 70 % / Num. measured all: 42053 / Rmerge(I) obs: 0.071 |
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Processing
Software | Name: EREF / Classification: refinement | ||||||||||||
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Refinement | Rfactor Rwork: 0.153 / Highest resolution: 2.31 Å | ||||||||||||
Refinement step | Cycle: LAST / Highest resolution: 2.31 Å
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Software | *PLUS Name: EREF / Classification: refinement | ||||||||||||
Refinement | *PLUS Highest resolution: 2.31 Å / Rfactor obs: 0.153 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS |