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- PDB-1amh: UNCOMPLEXED RAT TRYPSIN MUTANT WITH ASP 189 REPLACED WITH SER (D189S) -
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Open data
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Basic information
Entry | Database: PDB / ID: 1amh | ||||||
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Title | UNCOMPLEXED RAT TRYPSIN MUTANT WITH ASP 189 REPLACED WITH SER (D189S) | ||||||
![]() | ANIONIC TRYPSIN | ||||||
![]() | HYDROLASE / SERINE PROTEASE / ACTIVATION DOMAIN / SUBSTRATE SPECIFICITY HYDROLASE | ||||||
Function / homology | ![]() Antimicrobial peptides / Alpha-defensins / Activation of Matrix Metalloproteinases / Neutrophil degranulation / collagen catabolic process / trypsin / digestion / response to nutrient / serine-type endopeptidase activity / calcium ion binding ...Antimicrobial peptides / Alpha-defensins / Activation of Matrix Metalloproteinases / Neutrophil degranulation / collagen catabolic process / trypsin / digestion / response to nutrient / serine-type endopeptidase activity / calcium ion binding / proteolysis / extracellular space / extracellular region Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Szabo, E. / Bocskei, Z.S. / Naray-Szabo, G. / Graf, L. | ||||||
![]() | ![]() Title: The three-dimensional structure of Asp189Ser trypsin provides evidence for an inherent structural plasticity of the protease. Authors: Szabo, E. / Bocskei, Z. / Naray-Szabo, G. / Graf, L. #1: ![]() Title: Exogenous Acetate Reconstitutes the Enzymatic Activity of Trypsin Asp189Ser Authors: Perona, J.J. / Hedstrom, L. / Wagner, R.L. / Rutter, W.J. / Craik, C.S. / Fletterick, R.J. #2: ![]() Title: Electrostatic Complementarity within the Substrate-Binding Pocket of Trypsin Authors: Graf, L. / Jancso, A. / Szilagyi, L. / Hegyi, G. / Pinter, K. / Naray-Szabo, G. / Hepp, J. / Medzihradszky, K. / Rutter, W.J. #3: ![]() Title: Structural Basis of the Activation and Action of Trypsin Authors: Huber, R. / Bode, 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 | ![]() | 93.8 KB | Display | ![]() |
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PDB format | ![]() | 74.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 432.1 KB | Display | ![]() |
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Full document | ![]() | 439.8 KB | Display | |
Data in XML | ![]() | 19.5 KB | Display | |
Data in CIF | ![]() | 26.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1brbS 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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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS oper: (Code: given Matrix: (0.739109, 0.012922, -0.673462), Vector: |
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Components
#1: Protein | Mass: 23786.828 Da / Num. of mol.: 2 / Mutation: D189S Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.07 Å3/Da / Density % sol: 61 % | ||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 277 K / pH: 5.6 Details: CRYSTALLIZED AT 277 K FROM 10 MG/ML PROTEIN SOLUTION USING 22% PEG 3350, 10 MM CACL2 AND 0.15M NH4CL AS PRECIPITANT AT PH=5.6 (0.1 M SODIUM CITRATE). | ||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 293 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU / Detector: IMAGE PLATE / Date: Dec 1, 1995 |
Radiation | Monochromator: GRAPHITE(002) / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.52→100 Å / Num. obs: 13312 / % possible obs: 94.5 % / Observed criterion σ(I): 0 / Redundancy: 3.1 % / Biso Wilson estimate: 36.25 Å2 / Rmerge(I) obs: 0.12 / Rsym value: 0.131 / Net I/σ(I): 7.7 |
Reflection shell | Resolution: 2.5→2.6 Å / Redundancy: 3 % / Rmerge(I) obs: 0.296 / Mean I/σ(I) obs: 2.63 / Rsym value: 0.312 / % possible all: 91.9 |
Reflection shell | *PLUS Highest resolution: 2.54 Å / Lowest resolution: 2.59 Å / % possible obs: 91.9 % / Num. unique obs: 470 / Mean I/σ(I) obs: 2.6 |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1BRB Resolution: 2.5→100 Å / Rfactor Rfree error: 0.007 / Data cutoff high absF: 100000 / Data cutoff low absF: 0.1 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters | Biso mean: 18.64 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.5→100 Å
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Refine LS restraints |
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Refine LS restraints NCS | Refine-ID: X-RAY DIFFRACTION / Weight Biso : 3
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LS refinement shell | Resolution: 2.54→2.59 Å / Rfactor Rfree error: 0.05 / Total num. of bins used: 20
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Xplor file |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Num. reflection obs: 12103 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor obs: 0.259 |