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- PDB-1nes: STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCI... -
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Basic information
Entry | Database: PDB / ID: 1nes | ||||||
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Title | STRUCTURE OF THE PRODUCT COMPLEX OF ACETYL-ALA-PRO-ALA WITH PORCINE PANCREATIC ELASTASE AT 1.65 ANGSTROMS RESOLUTION | ||||||
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![]() | HYDROLASE/HYDROLASE INHIBITOR / SERINE PROTEASE/INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Meyer Junior, E.F. / Radhakrishnan, R. / M Cole, G. / Presta, L.G. | ||||||
![]() | ![]() Title: Structure of the product complex of acetyl-Ala-Pro-Ala with porcine pancreatic elastase at 1.65 A resolution. Authors: Meyer Jr., E.F. / Radhakrishnan, R. / Cole, G.M. / Presta, L.G. #1: ![]() Title: Misbehaving Macromolecules: Backwards Binding Ligands and Other Surprising Structures Authors: Meyer, E.F. / Botos, I. / Scapozza, L. / Zhang, D. #2: ![]() Title: Effect of the 7-Amino Substituent on the Inhibitory Potency of Mechanism-Based Isocoumarin Inhibitors for Porcine Pancreatic and Human Neutrophil Elastases: A 1.85-Angstroms X-Ray Structure of ...Title: Effect of the 7-Amino Substituent on the Inhibitory Potency of Mechanism-Based Isocoumarin Inhibitors for Porcine Pancreatic and Human Neutrophil Elastases: A 1.85-Angstroms X-Ray Structure of the Complex between Porcine Pancreatic Elastase and 7-[(N-Tosylphenylalanyl)Amino]-4-Chloro-3-Methoxyisocoumarin Authors: Hernandez, M.A. / Powers, J.C. / Glinski, J. / Oleksyszyn, J. / Vijayalakshmi, J. / Meyer Junior, E.F. #3: ![]() Title: Complexed with 7-Amino-3-(2-Bromoethoxy)-4-Chloroisocoumarin as a Nonreactivatable Doubly Covalent Enzyme-Inhibitor Complex Authors: Vijayalakshmi, J. / Meyer Junior, E.F. / Kam, C.-M. / Powers, J.C. #4: ![]() Title: Reaction of Porcine Pancreatic Elastase with 7-Substituted 3-Alkoxy-4-Chloroisocoumarins: Design of Potent Inhibitors Using the Crystal Structure of the Complex Formed with 4-Chloro-3-Ethoxy-7- ...Title: Reaction of Porcine Pancreatic Elastase with 7-Substituted 3-Alkoxy-4-Chloroisocoumarins: Design of Potent Inhibitors Using the Crystal Structure of the Complex Formed with 4-Chloro-3-Ethoxy-7-Guanidino-Isocoumarin Authors: Powers, J.C. / Oleksyszyn, J. / Narasimhan, S.L. / Kam, C.-M. / Radhakrishnan, R. / Meyer Junior, E.F. #5: ![]() Title: The 2.2-Angstrom Resolution X-Ray Crystal Structure of the Complex of Trypsin Inhibited by 4-Chloro-3-Ethoxy-7-Guanidinoisocoumarin: A Proposed Model of the Thrombin-Inhibitor Complex Authors: Chow, M.M. / Meyer Junior, E.F. / Bode, W. / Kam, C.-M. / Radhakrishnan, R. / Vijayalakshmi, J. / Powers, J.C. #6: ![]() Title: Human Leukocyte and Porcine Pancreatic Elastase: X-Ray Crystal Structures, Mechanism, Substrate Specificity, and Mechanism-Based Inhibitors Authors: Bode, W. / Meyer Junior, E.F. / Powers, J.C. #7: ![]() Title: Structure of Native Porcine Pancreatic Elastase at 1.65 Angstroms Resolution Authors: Meyer, E. / Cole, G. / Radhakrishnan, R. / Epp, O. #8: ![]() Title: Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors Authors: Radhakrishnan, R. / Presta, L.G. / Meyer Junior, E.F. / Wildonger, R. #9: ![]() Title: Crystal Structures of the Complex of Porcine Pancreatic Elastase with Two Valine-Derived Benzoxazinone Inhibitors Authors: Radhakrishnan, R. / Presta, L.G. / Meyer Junior, E.F. / Wildonger, R. #10: ![]() Title: Stereospecific Reaction of 3-Methoxy-4-Chloro-7-Amino-Isocoumarin with Crystalline Porcine Pancreatic Elastase Authors: Meyer Junior, E.F. / Presta, L.G. / Radhakrishnan, R. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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PDBx/mmCIF format | ![]() | 60.5 KB | Display | ![]() |
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PDB format | ![]() | 44.2 KB | Display | ![]() |
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-Validation report
Summary document | ![]() | 412.7 KB | Display | ![]() |
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Full document | ![]() | 418.6 KB | Display | |
Data in XML | ![]() | 7.9 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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1 |
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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 natural source / Source: (natural) ![]() ![]() | ||||||
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#2: Protein/peptide | Mass: 283.323 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source #3: Chemical | ChemComp-CA / | #4: Chemical | ChemComp-SO4 / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.13 Å3/Da / Density % sol: 42.19 % | |||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 5 / Method: microdialysis | |||||||||||||||||||||||||
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 | Observed criterion σ(F): 2 |
Reflection | *PLUS Highest resolution: 1.65 Å / Num. obs: 20665 / % possible obs: 72 % |
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Processing
Software | Name: EREF / Classification: refinement | ||||||||||||
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Refinement | Resolution: 1.65→7 Å / σ(F): 1
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Refinement step | Cycle: LAST / Resolution: 1.65→7 Å
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Refine LS restraints | *PLUS
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