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- PDB-1hax: Snapshots of serine protease catalysis: (A) acyl-enzyme intermedi... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1hax | ||||||
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Title | Snapshots of serine protease catalysis: (A) acyl-enzyme intermediate between porcine pancreatic elastase and human beta-casomorphin-7 at pH 5 | ||||||
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![]() | HYDROLASE / SERINE PROTEINASE / HYDROLASE (SERINE PROTEINASE) | ||||||
Function / homology | ![]() pancreatic elastase / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Wilmouth, R.C. / Edman, K. / Neutze, R. / Wright, P.A. / Clifton, I.J. / Schneider, T.R. / Schofield, C.J. / Hajdu, J. | ||||||
![]() | ![]() Title: X-Ray Snapshots of Serine Protease Catalysis Reveal a Tetrahedral Intermediate Authors: Wilmouth, R.C. / Edman, K. / Neutze, R. / Wright, P.A. / Clifton, I.J. / Schneider, T.R. / Schofield, C.J. / Hajdu, J. #1: ![]() 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. #2: ![]() Title: Structure of Native Porcine Pancreatic Elastase at 1.65A Resolution Authors: Meyer, E. / Cole, G. / Radhakrishnan, R. / Epp, O. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 66.4 KB | Display | ![]() |
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PDB format | ![]() | 47.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 434 KB | Display | ![]() |
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Full document | ![]() | 434.5 KB | Display | |
Data in XML | ![]() | 12.7 KB | Display | |
Data in CIF | ![]() | 18.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1hayC ![]() 1hazC ![]() 1hb0C ![]() 1qixS S: Starting model for refinement C: citing same article ( |
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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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Details | COMPLEX OF ELASTASE 1 AND BETA-CASOMORPHIN- 7 |
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Components
#1: Protein/peptide | Mass: 456.532 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) ![]() |
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#2: Protein | Mass: 26014.148 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() |
#3: Chemical | ChemComp-CA / |
#4: Chemical | ChemComp-SO4 / |
#5: Water | ChemComp-HOH / |
Compound details | THE CARBOXYL TERMINUS OF THE BETA-CASOMORPHIN-7 PEPTIDE AND THE HYDROXYL SIDE CHAIN OF SER-195 ARE ...THE CARBOXYL TERMINUS OF THE BETA-CASOMORPHI |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.85 Å3/Da / Density % sol: 32.9 % | |||||||||||||||||||||||||
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Crystal grow | pH: 5 Details: 25MM SODIUM SULPHATE, 25MM SODIUM ACETATE (PH 5.0), 25 MG/ML PPE AND 25 MG/ML BCM7. | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 17 ℃ / Method: vapor diffusion, hanging drop / Details: Wilmouth, R.C., (1997) Nat.Struct.Biol., 4, 456. | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jun 15, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.933 Å / Relative weight: 1 |
Reflection | Resolution: 1.6→33.9 Å / Num. obs: 29359 / % possible obs: 99.8 % / Observed criterion σ(I): 0 / Redundancy: 4.3 % / Biso Wilson estimate: 12.7 Å2 / Rmerge(I) obs: 0.034 / Net I/σ(I): 33.4 |
Reflection shell | Resolution: 1.6→1.69 Å / Redundancy: 3.9 % / Rmerge(I) obs: 0.09 / Mean I/σ(I) obs: 15.2 / % possible all: 98.7 |
Reflection | *PLUS Num. measured all: 211556 |
Reflection shell | *PLUS Highest resolution: 1.6 Å / % possible obs: 98.7 % / Rmerge(I) obs: 0.09 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1QIX Resolution: 1.6→38.1 Å / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0
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Solvent computation | Solvent model: STANDARD CNS / Bsol: 39.5 Å2 / ksol: 0.38 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.2 Å2
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Refinement step | Cycle: LAST / Resolution: 1.6→38.1 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.6→1.62 Å / Total num. of bins used: 24
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Xplor file |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.2 |