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- PDB-5fzu: CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI-FUNCTIONAL INHIBIT... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5fzu | ||||||
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Title | CRYSTAL STRUCTURE OF N19D POTATO STI-KUNITZ BI-FUNCTIONAL INHIBITOR OF SERINE AND ASPARTIC PROTEASES IN SPACE GROUP P4322 AND PH 7.2 | ||||||
![]() | KTI-A PROTEIN | ||||||
![]() | HYDROLASE INHIBITOR / HYDROLASE / PROTEASES / PROTEASE INHIBITOR / BI-FUNCTIONAL PROTEASE INHIBITOR / KUNITZ-TYPE INHIBITOR | ||||||
Function / homology | ![]() serine-type endopeptidase inhibitor activity / peptidase activity / proteolysis Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Guerra, Y. / Rudino-Pinero, E. | ||||||
![]() | ![]() Title: Structures of a bi-functional Kunitz-type STI family inhibitor of serine and aspartic proteases: Could the aspartic protease inhibition have evolved from a canonical serine protease-binding loop? Authors: Guerra, Y. / Valiente, P.A. / Pons, T. / Berry, C. / Rudino-Pinera, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 48.9 KB | Display | ![]() |
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PDB format | ![]() | 35.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 421.4 KB | Display | ![]() |
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Full document | ![]() | 422.8 KB | Display | |
Data in XML | ![]() | 8.9 KB | Display | |
Data in CIF | ![]() | 11.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5fnwSC ![]() 5fnxC ![]() 5fzyC ![]() 5fzzC ![]() 5g00C C: citing same article ( S: Starting model for refinement |
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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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Components on special symmetry positions |
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Components
#1: Protein | Mass: 20527.490 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Water | ChemComp-HOH / |
Sequence details | THIS DEPOSIT HAS A MUTATION IN RESIDUE 19 FROM N TO D. |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.42 Å3/Da / Density % sol: 63.99 % / Description: NONE |
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Crystal grow | pH: 7.2 Details: 20 % (W/V) PEG 8000, 0.1 M HEPES PH 7.5, 30 MM GYCYL-GLYCYL-GLYCINE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Jan 17, 2016 / Details: SI (111) DOUBLE CRYSTAL |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.1807 Å / Relative weight: 1 |
Reflection | Resolution: 2.43→32 Å / Num. obs: 11223 / % possible obs: 99.9 % / Observed criterion σ(I): 0 / Redundancy: 16.4 % / Biso Wilson estimate: 56.77 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 42.13 |
Reflection shell | Resolution: 2.43→2.53 Å / Redundancy: 16.95 % / Rmerge(I) obs: 0.63 / Mean I/σ(I) obs: 5.21 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 5FNW Resolution: 2.43→19.889 Å / SU ML: 0.36 / σ(F): 1.36 / Phase error: 27.1 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 58.1 Å2 | |||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.43→19.889 Å
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Refine LS restraints |
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LS refinement shell |
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