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- PDB-1eld: Structural analysis of the active site of porcine pancreatic elas... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1eld | ||||||
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Title | Structural analysis of the active site of porcine pancreatic elastase based on the x-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors | ||||||
![]() | ELASTASE | ||||||
![]() | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / SERINE PROTEINASE | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Mattos, C. / Petsko, G.A. / Ringe, D. | ||||||
![]() | ![]() Title: Structural analysis of the active site of porcine pancreatic elastase based on the X-ray crystal structures of complexes with trifluoroacetyl-dipeptide-anilide inhibitors. Authors: Mattos, C. / Giammona, D.A. / Petsko, G.A. / Ringe, D. #1: ![]() Title: Analogous Inhibitors of Elastase Do not Always Bind Analogously Authors: Mattos, C. / Rasmussen, B. / Ding, X. / Petsko, G.A. / Ringe, D. #2: ![]() Title: Interaction of the Peptide Cf3-Leu-Ala-Nh-C6H4-Cf3(Tfla) with Porcine Pancreatic Elastase. X-Ray Studies at 1.8 Angstroms Authors: Li De La Sierra, I. / Papamichael, E. / Sakarelos, C. / Dimicoli, J.-L. / Prange, T. #3: ![]() Title: Structure of Native Porcine Pancreatic Elastase at 1.65 Angstroms Resolution Authors: Meyer, E. / Cole, G. / Radhakrishnan, R. / Epp, O. #4: ![]() Title: Structure of the Product Complex of Acetyl-Ala-Pro-Ala with Porcine Pancreatic Elastase at 1.65 Angstroms Resolution Authors: Meyer, E. / Radhakrishnan, R. / Cole, G. / Presta, L.G. #5: ![]() Title: Crystallographic Study of the Binding of a Tri-Fluoroacetyl Dipeptide Anilide Inhibitor with Elastase Authors: Hughes, D.L. / Diecker, L.C. / Bieth, L.C. / Dimicoli, J.-L. #6: ![]() Title: The Indirect Mechanism of Action of the Trifluoroacetyl Peptides on Elastase Authors: Dimicoli, J.-L. / Renaud, A. / Bieth, J. #7: ![]() Title: The Atomic Structure of Crystalline Porcine Pancreatic Elastase at 2.5 Angstroms Resolution. Comparisons with the Structure of Alpha-Chymotrypsin Authors: Sawyer, L. / Shotton, C.M. / Campbell, J.W. / Wendell, P.L. / Muirhead, H. / Watson, H.C. / Diamond, R. / Ladner, R.C. | ||||||
History |
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Remark 700 | SHEET THE TWO SEVEN-STRANDED SHEETS IN THIS STRUCTURE ARE REALLY SIX-STRANDED BETA BARRELS. THIS IS ...SHEET THE TWO SEVEN-STRANDED SHEETS IN THIS STRUCTURE ARE REALLY SIX-STRANDED BETA BARRELS. THIS IS DENOTED BY THE FIRST STRAND RECURRING AS THE LAST STRAND. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 63.7 KB | Display | ![]() |
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PDB format | ![]() | 46.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 460.3 KB | Display | ![]() |
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Full document | ![]() | 468.6 KB | Display | |
Data in XML | ![]() | 7.9 KB | Display | |
Data in CIF | ![]() | 11.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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 genetically manipulated source Source: (gene. exp.) ![]() ![]() |
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#2: Chemical | ChemComp-0Z0 / |
#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-ACY / |
#5: Water | ChemComp-HOH / |
Sequence details | THE IDENTITY OF ASN A 81 AGREES WITH THE SEQUENCES OF SEVERAL OTHER ELASTASE STRUCTURES. THE ...THE IDENTITY OF ASN A 81 AGREES WITH THE SEQUENCES OF SEVERAL OTHER ELASTASE STRUCTURES |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.14 Å3/Da / Density % sol: 42.59 % | ||||||||||||||||||||
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Crystal grow | Details: THE COMPLEX WAS CO-CRYSTALLIZED. THE CO-CRYSTALS WERE GROWN BY THE METHOD OF VAPOR DIFFUSION IN 40 MICROLITER DROPS CONTAINING 7MG/ML OF ELASTASE, 0.1 MILLIMOLAR TFA-PHE-ALA-TFM, 1.4 ...Details: THE COMPLEX WAS CO-CRYSTALLIZED. THE CO-CRYSTALS WERE GROWN BY THE METHOD OF VAPOR DIFFUSION IN 40 MICROLITER DROPS CONTAINING 7MG/ML OF ELASTASE, 0.1 MILLIMOLAR TFA-PHE-ALA-TFM, 1.4 MILLIMOLAR SODIUM SULFATE AND 100 MILLIMOLAR SODIUM ACETATE AT PH 5. THE RESERVOIR CONSISTED OF 100 MILLIMOLAR SODIUM SULFATE AND 100 MILLIMOLAR ACETATE BUFFER AT PH 5. | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 2 ℃ / pH: 5 / Method: unknown / Details: Sawyer, L., (1978) J. Mol. Biol., 118, 137. | ||||||||||||||||||||
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: 1.8 Å / Num. obs: 21511 / Observed criterion σ(I): 0 / Num. measured all: 58417 / Rmerge(I) obs: 0.089 |
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Processing
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Refinement | Resolution: 2→10 Å / Rfactor Rwork: 0.196 / Rfactor obs: 0.196 / σ(F): 0 | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→10 Å
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Software | *PLUS Name: ![]() | ||||||||||||
Refinement | *PLUS Highest resolution: 1.8 Å / Rfactor obs: 0.19 / Rfactor Rwork: 0.19 / Num. reflection obs: 21511 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS
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