+Open data
-Basic information
Entry | Database: PDB / ID: 1tnj | ||||||
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Title | PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS | ||||||
Components | TRYPSIN | ||||||
Keywords | HYDROLASE/hydrolase inhibitor / HYDROLASE-hydrolase inhibitor complex / SERINE PROTEINASE / TRYPSIN / INHIBITOR - PHENYLETHYLAMINE | ||||||
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) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.8 Å | ||||||
Authors | Kurinov, I. / Harrison, R.W. | ||||||
Citation | 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 | 1tnj.cif.gz | 65.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1tnj.ent.gz | 52.8 KB | Display | PDB format |
PDBx/mmJSON format | 1tnj.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tn/1tnj ftp://data.pdbj.org/pub/pdb/validation_reports/tn/1tnj | 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: 24012.953 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-PEA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.55 % | ||||||||||||||||||||
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Crystal grow | *PLUS pH: 8 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Reflection | % possible obs: 90.5 % / Observed criterion σ(I): 1 |
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Reflection | *PLUS Highest resolution: 1.8 Å / Num. measured all: 115203 / Rmerge(I) obs: 0.075 |
-Processing
Software |
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Refinement | Resolution: 1.8→7 Å / σ(F): 3 /
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Displacement parameters | Biso mean: 21.4 Å2 | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→7 Å
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||
Refinement | *PLUS Rfactor obs: 0.17 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS Type: x_bond_d / Dev ideal: 0.014 |