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Open data
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Basic information
Entry | Database: PDB / ID: 1oss | ||||||
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Title | T190P STREPTOMYCES GRISEUS TRYPSIN IN COMPLEX WITH BENZAMIDINE | ||||||
![]() | trypsin | ||||||
![]() | HYDROLASE / TRYPSIN / SERINE PROTEASE / MUTANT | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Page, M.J. / Wong, S.L. / Hewitt, J. / Strynadka, N.C. / MacGillivray, R.T. | ||||||
![]() | ![]() Title: Engineering the Primary Substrate Specificity of Streptomyces griseus Trypsin. Authors: Page, M.J. / Wong, S.L. / Hewitt, J. / Strynadka, N.C. / MacGillivray, R.T. #1: ![]() Title: Refined Crystal Structure of Streptomyces Griseus Trypsin at 1.7 Angstroms Resolution Authors: Read, R.J. / James, M.N.G. #2: ![]() Title: Critical Comparison of Comparative Model Building of Streptomyces Griseus Trypsin Authors: Read, R.J. / Brayer, G.D. / Jurasek, L. / James, M.N.G. | ||||||
History |
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Remark 999 | SEQUENCE AMINO ACID NUMBERING IS BASED ON CHYMOTRYPSINOGEN AND IS THE SAME AS THAT USED IN THE ...SEQUENCE AMINO ACID NUMBERING IS BASED ON CHYMOTRYPSINOGEN AND IS THE SAME AS THAT USED IN THE NATIVE STRUCTURE (PDB ID 1SGT). |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 61 KB | Display | ![]() |
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PDB format | ![]() | 42.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 436.6 KB | Display | ![]() |
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Full document | ![]() | 437.2 KB | Display | |
Data in XML | ![]() | 12.3 KB | Display | |
Data in CIF | ![]() | 17.5 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1os8C ![]() 1sgtS 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: 23118.799 Da / Num. of mol.: 1 / Mutation: T190P Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||||
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#2: Chemical | #3: Chemical | ChemComp-CA / | #4: Chemical | ChemComp-BEN / | #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.02 Å3/Da / Density % sol: 38.7 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 1.55 M AMMONIUM SULPHATE, 10 MM CALCIUM ACETATE , pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 6.2 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Nov 21, 2002 |
Radiation | Monochromator: OSMIC MIRRORS / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.93→20 Å / Num. obs: 16130 / % possible obs: 89.7 % / Observed criterion σ(I): 2 / Biso Wilson estimate: 7.1 Å2 / Rmerge(I) obs: 0.031 |
Reflection shell | Resolution: 1.93→2 Å / Rmerge(I) obs: 0.056 / % possible all: 79.1 |
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 14471 |
Reflection shell | *PLUS Lowest resolution: 2.05 Å / % possible obs: 79.1 % / Mean I/σ(I) obs: 25.2 |
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Processing
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Refinement | Method to determine structure: RIGID BODY REFINEMENT Starting model: 1SGT Resolution: 1.93→19.86 Å / Rfactor Rfree error: 0.008 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber Details: RESIDUES 165 AND 192 HAVE TWO ALTERNATE CONFORMATIONS THAT ARE CLEARLY VISIBLE IN THE ELECTRON DENSITY
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 56.6589 Å2 / ksol: 0.442522 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 12.8 Å2
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Refine analyze | Luzzati coordinate error free: 0.23 Å / Luzzati sigma a free: 0.12 Å | ||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.93→19.86 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.93→2.05 Å / Rfactor Rfree error: 0.021 / Total num. of bins used: 6
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Xplor file |
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Software | *PLUS Name: XTALVIEW / Classification: refinement | ||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.9 Å | ||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.2 |