+Open data
-Basic information
Entry | Database: PDB / ID: 1jrs | ||||||
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Title | HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN | ||||||
Components |
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Keywords | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE / SERINE PROTEASE / DIGESTION / PANCREAS / ZYMOGEN / HYDROLASE (SERINE PROTEASE) / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||
Function / homology | Function and homology information trypsin / serpin family protein binding / digestion / serine protease inhibitor complex / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) Actinomycetes Streptomyces roseus MA 839-A1 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | ||||||
Authors | Kurinov, I.V. / Harrison, R.W. | ||||||
Citation | Journal: Protein Sci. / Year: 1996 Title: Two crystal structures of the leupeptin-trypsin complex. Authors: Kurinov, I.V. / Harrison, R.W. #1: Journal: Nat.Struct.Biol. / Year: 1994 Title: Prediction of New Serine Proteinase Inhibitors Authors: Kurinov, I.V. / Harrison, R.W. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1jrs.cif.gz | 69.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1jrs.ent.gz | 55.3 KB | Display | PDB format |
PDBx/mmJSON format | 1jrs.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/jr/1jrs ftp://data.pdbj.org/pub/pdb/validation_reports/jr/1jrs | HTTPS FTP |
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-Related 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: 23324.287 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin | ||
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#2: Protein/peptide | | ||
#3: Chemical | ChemComp-CA / | ||
#4: Water | ChemComp-HOH / | ||
Compound details | THE LEUPEPTIN IS COVALENTLYSequence details | THERE IS A DISCREPANCY IN THE NORINE AND PDB NUMBERING, AS NORINE COUNTS ACE AND LEU TOGETHER AS ...THERE IS A DISCREPANC | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.93 Å3/Da / Density % sol: 56 % | ||||||||||||||||||||||||||||||
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Crystal grow | Method: vapor diffusion, hanging drop Details: ORTHORHOMBIC SPACE GROUP; CRYSTALLIZATION CONDITIONS: 24-26% PEG8000, 0.02M INHIBITOR, 0.2M (NH4)2 SO4, 50MM TRIS-HCL, ROOM TEMPERATURE, HANGING DROP., vapor diffusion - hanging drop Temp details: room temp | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction source | Wavelength: 1.5418 |
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Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Mar 19, 1994 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Num. obs: 78707 / % possible obs: 88.8 % / Observed criterion σ(I): 1 / Redundancy: 3.24 % / Rmerge(I) obs: 0.044 |
Reflection | *PLUS Highest resolution: 1.8 Å |
-Processing
Software |
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Refinement | Resolution: 1.8→8 Å / σ(F): 2
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Displacement parameters | Biso mean: 22.2 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |