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- PDB-3veq: A binary complex betwwen bovine pancreatic trypsin and a engineer... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3veq | ||||||
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Title | A binary complex betwwen bovine pancreatic trypsin and a engineered mutant trypsin inhibitor | ||||||
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![]() | HYDROLASE/HYDROLASE INHIBITOR / HYDROLASE-HYDROLASE INHIBITOR complex | ||||||
Function / homology | ![]() trypsin / serpin family protein binding / serine protease inhibitor complex / digestion / serine-type endopeptidase inhibitor activity / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Sen, U. / Majumder, S. / Khamrui, S. / Dasgupta, J. | ||||||
![]() | ![]() Title: Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors Authors: Majumder, S. / Khamrui, S. / Dasgupta, J. / Dattagupta, J.K. / Sen, U. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 93.1 KB | Display | ![]() |
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PDB format | ![]() | 68.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 3i29C ![]() 3qydC ![]() 2qyiS 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: 23294.262 Da / Num. of mol.: 1 / Mutation: I118V, S199A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Protein | Mass: 20310.885 Da / Num. of mol.: 1 / Mutation: L668A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Plasmid: PET28a / Production host: ![]() ![]() |
#3: Chemical | ChemComp-CA / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.87 Å3/Da / Density % sol: 34.37 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / Details: VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Sep 11, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2.25→20 Å / Num. obs: 14218 / % possible obs: 90.8 % / Biso Wilson estimate: 32.7 Å2 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 2QYI Resolution: 2.25→19.91 Å / Rfactor Rfree error: 0.01 / Data cutoff high absF: 1319403.81 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Details: BULK SOLVENT MODEL USED
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 63.1351 Å2 / ksol: 0.45 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 39 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.25→19.91 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.25→2.39 Å / Rfactor Rfree error: 0.032 / Total num. of bins used: 6
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Xplor file |
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