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Yorodumi- PDB-1e37: PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBE... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1.0E+37 | ||||||
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Title | PORCINE PANCREATIC ELASTASE COMPLEXED WITH (3S, 4S)N-PARA-NITROBENZENESULPHONYL -3-ETHYL-4-(CARBOXYLIC ACID)PYRROLIDIN-2-ONE SOAKED IN PH 9 BUFFER FOR 1 MINUTE | ||||||
Components | ELASTASE | ||||||
Keywords | HYDROLASE(SERINE PROTEASE) / SERINE PROTEASE / HYDROLASE / SERINE PROTEINASE | ||||||
Function / homology | Function and homology information pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | SUS SCROFA (pig) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.75 Å | ||||||
Authors | Wright, P.A. / Wilmouth, R.C. / Clifton, I.J. / Schofield, C.J. | ||||||
Citation | Journal: Biochem.J. / Year: 2000 Title: 'Ph-Jump' Crystallographic Analyses of Gamma-Lactam-Porcine Pancreatic Elastase Complexes Authors: Wright, P.A. / Wilmouth, R.C. / Clifton, I.J. / Schofield, C.J. #1: Journal: Biochemistry / Year: 1999 Title: Mechanistic Insights Into the Inhibition of Serine Proteases by Monocyclic Lactams Authors: Wilmouth, R.C. / Kassamally, S. / Westwood, N.J. / Sheppard, R.J. / Claridge, T.D.W. / Aplin, R.T. / Wright, P.A. / Pritchard, G.J. / Schofield, C.J. #2: Journal: Biochemistry / Year: 1998 Title: Inhibition of Elastase by N-Sulfonylaryl Beta-Lactams: Anatomy of a Stable Acyl-Enzyme Complex Authors: Wilmouth, R.C. / Westwood, N.J. / Anderson, K. / Brownlee, W. / Claridge, T.D.W. / Clifton, I.J. / Pritchard, G.J. / Aplin, R.T. / Schofield, C.J. #3: Journal: Nat.Struct.Biol. / Year: 1997 Title: Structure of a Specific Acyl-Enzyme Complex Formed between Beta-Casomorphin-7 and Porcine Pancreatic Elastase Authors: Wilmouth, R.C. / Clifton, I.J. / Robinson, C.V. / Roach, P.L. / Aplin, R.T. / Westwood, N.J. / Hajdu, J. / Schofield, C.J. #4: Journal: Acta Crystallogr.,Sect.B / Year: 1988 Title: Structure of Native Porcine Pancreatic Elastase at 1.65 A Resolution Authors: Meyer, E. / Cole, G. / Radhakrishnan, R. / Epp, O. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1e37.cif.gz | 65.1 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1e37.ent.gz | 45.7 KB | Display | PDB format |
PDBx/mmJSON format | 1e37.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/e3/1e37 ftp://data.pdbj.org/pub/pdb/validation_reports/e3/1e37 | HTTPS FTP |
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-Related structure data
Related structure data | 1e34C 1e35C 1e36C 1e38C 3estS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-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) SUS SCROFA (pig) / Organ: PANCREAS / References: UniProt: P00772, pancreatic elastase |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-SO4 / |
#4: Chemical | ChemComp-TPY / ( |
#5: Water | ChemComp-HOH / |
Sequence details | THE SEQUENCE USED FOR THIS STRUCTURE IS THE SAME AS THAT OF NATIVE PORCINE PANCREATIC |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 30.1 % | ||||||||||||||||||||||||||||||
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Crystal grow | pH: 9 Details: 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE, PH 5.0; THEN SOAKED IN 25 MM SODIUM SULPHATE, 50MM SODIUM ACETATE, 20 MG/ML GAMMA-LACTAM, 10% (V/V) DMSO, PH 5.0 FOR 24 HOURS | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5 / Method: unknown | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: BM14 / Wavelength: 0.826 |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 15, 1998 |
Radiation | Monochromator: SI(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.826 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→19.8 Å / Num. obs: 22447 / % possible obs: 98.2 % / Observed criterion σ(I): 0 / Redundancy: 3 % / Biso Wilson estimate: 21 Å2 / Rmerge(I) obs: 0.075 / Rsym value: 0.075 / Net I/σ(I): 13.52 |
Reflection shell | Resolution: 1.75→1.84 Å / Redundancy: 3 % / Rmerge(I) obs: 0.259 / Mean I/σ(I) obs: 2.8 / Rsym value: 0.259 / % possible all: 99.2 |
Reflection | *PLUS Num. measured all: 422170 |
Reflection shell | *PLUS % possible obs: 99.2 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3EST Resolution: 1.75→19.8 Å / SU B: 2.45 / SU ML: 0.08 / Cross valid method: THROUGHOUT / σ(F): 0 / ESU R: 0.136 / ESU R Free: 0.125 / Details: SHELX ALSO USED
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Displacement parameters | Biso mean: 25.7 Å2
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Refinement step | Cycle: LAST / Resolution: 1.75→19.8 Å
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Refine LS restraints |
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