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Open data
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Basic information
Entry | Database: PDB / ID: 1tnh | ||||||
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Title | PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS | ||||||
![]() | TRYPSIN | ||||||
![]() | HYDROLASE/hydrolase inhibitor / HYDROLASE-hydrolase inhibitor complex / SERINE PROTEINASE / TRYPSIN / INHIBITOR - FLUOROBENZYLAMINE | ||||||
Function / homology | ![]() trypsin / serpin family protein binding / serine protease inhibitor complex / digestion / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Kurinov, I. / Harrison, R.W. | ||||||
![]() | ![]() Title: Prediction of new serine proteinase inhibitors. Authors: Kurinov, I.V. / Harrison, R.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 69.3 KB | Display | ![]() |
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PDB format | ![]() | 51.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 377.5 KB | Display | ![]() |
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Full document | ![]() | 379.5 KB | Display | |
Data in XML | ![]() | 6.3 KB | Display | |
Data in CIF | ![]() | 9.8 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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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.) ![]() ![]() |
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#2: Chemical | ChemComp-CA / |
#3: Chemical | ChemComp-FBA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.26 Å3/Da / Density % sol: 45.54 % | ||||||||||||||||||||
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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: 85.7 % / Observed criterion σ(I): 1 |
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Reflection | *PLUS Highest resolution: 1.8 Å / Num. measured all: 65682 / Rmerge(I) obs: 0.055 |
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Processing
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Refinement | Resolution: 1.8→7 Å / σ(F): 3 /
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Displacement parameters | Biso mean: 18.3 Å2 | ||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.8→7 Å
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Software | *PLUS Name: ![]() | ||||||||||||
Refinement | *PLUS Rfactor obs: 0.168 | ||||||||||||
Solvent computation | *PLUS | ||||||||||||
Displacement parameters | *PLUS | ||||||||||||
Refine LS restraints | *PLUS Type: x_bond_d / Dev ideal: 0.014 |