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Open data
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Basic information
Entry | Database: PDB / ID: 6yix | ||||||
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Title | Trypsin inhibitor in complex with bovine trypsin | ||||||
![]() | Cationic trypsin | ||||||
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Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Badran, M.J. / Heine, A. / Klebe, G. | ||||||
![]() | ![]() Title: Trypsin inhibitor in complex with bovine trypsin Authors: Badran, M.J. / Heine, A. / Klebe, G. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 163.4 KB | Display | ![]() |
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PDB format | ![]() | 107.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6yisC ![]() 6yitC ![]() 6yiuC ![]() 6yivC ![]() 6yiwC ![]() 6yiyC ![]() 6yzaC ![]() 6yzcC ![]() 6zfjC ![]() 6zfkC ![]() 5mnkS 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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Unit cell |
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Components
#1: Protein | Mass: 23324.287 Da / Num. of mol.: 1 / Source method: isolated from a natural source Details: ...Details: IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN Source: (natural) ![]() ![]() ![]() ![]() | ||||||||
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#2: Chemical | ![]() #3: Chemical | ChemComp-8M2 / [ | #4: Chemical | ChemComp-DMS / ![]() #5: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.04 Å3/Da / Density % sol: 39.78 % |
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Crystal grow![]() | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7 / Details: ammonium sulfat, PEG8000, ethylene glycol, HEPES / PH range: 6.5 _ 7.5 |
-Data collection
Diffraction | Mean temperature: 100 K / Ambient temp details: liquid nitrogen / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Jun 29, 2019 |
Radiation | Monochromator: DCM Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.31→50 Å / Num. obs: 50997 / % possible obs: 98.9 % / Redundancy: 4.6 % / Biso Wilson estimate: 11.64 Å2 / CC1/2: 0.999 / Net I/σ(I): 18.98 |
Reflection shell | Resolution: 1.31→1.39 Å / Redundancy: 4.6 % / Num. unique obs: 8098 / CC1/2: 0.841 / % possible all: 98.3 |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 5MNK Resolution: 1.31→42.13 Å / SU ML: 0.1189 / Cross valid method: FREE R-VALUE / σ(F): 1.36 / Phase error: 17.4284
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 13.51 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.31→42.13 Å
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Refine LS restraints |
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LS refinement shell |
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