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Open data
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Basic information
Entry | Database: PDB / ID: 1suc | ||||||
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Title | CALCIUM-INDEPENDENT SUBTILISIN BY DESIGN | ||||||
![]() | SUBTILISIN BPN' CRB-S3 | ||||||
![]() | HYDROLASE(SERINE PROTEINASE) | ||||||
Function / homology | ![]() subtilisin / sporulation resulting in formation of a cellular spore / fibrinolysis / serine-type endopeptidase activity / proteolysis / extracellular space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() | ||||||
![]() | Gallagher, T. / Bryan, P. / Gilliland, G.L. | ||||||
![]() | ![]() Title: Calcium-independent subtilisin by design. Authors: Gallagher, T. / Bryan, P. / Gilliland, G.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 59.6 KB | Display | ![]() |
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PDB format | ![]() | 45.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 382.4 KB | Display | ![]() |
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Full document | ![]() | 387.2 KB | Display | |
Data in XML | ![]() | 7.4 KB | Display | |
Data in CIF | ![]() | 11.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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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Atom site foot note | 1: RESIDUE PRO 168 IS A CIS PROLINE. 2: RESIDUE CYS 221 (REPLACING THE CATALYTIC SER 221) IS OXIDIZED TO A SULFONYL (TWO OXYGENS BOUND TO SG). THESE ADDUCTS ARE INCLUDED AS *HETATM* RECORDS REFERRED TO HET GROUP *CYA*, RESIDUE NUMBER ...2: RESIDUE CYS 221 (REPLACING THE CATALYTIC SER 221) IS OXIDIZED TO A SULFONYL (TWO OXYGENS BOUND TO SG). THESE ADDUCTS ARE INCLUDED AS *HETATM* RECORDS REFERRED TO HET GROUP *CYA*, RESIDUE NUMBER 278. CONECT RECORDS SPECIFY BONDING. 3: THE CALCIUM 'A' SITE HAS BEEN DELETED. RESIDUE K 297 IS THE 'B' SITE, MONOVALENT SUBSITE. |
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Components
#1: Protein | Mass: 27555.547 Da / Num. of mol.: 1 / Mutation: M50P,Y217K, N218S,SER221CSD Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||
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#2: Chemical | ChemComp-K / | ||
#3: Chemical | ChemComp-ACN / | ||
#4: Water | ChemComp-HOH / | ||
Compound details | SECONDARY STRUCTURE ASSIGNMENTSequence details | OMITTING RESIDUE NUMBERS 75-83 REFLECTS THE ENGINEERED DELETION AND PRESERVES WILD TYPE NUMBERING ...OMITTING RESIDUE NUMBERS 75-83 REFLECTS THE ENGINEERED | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 1.97 Å3/Da / Density % sol: 37.69 % |
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Crystal grow | *PLUS pH: 9 / Method: vapor diffusion, hanging drop |
Components of the solutions | *PLUS Conc.: 55 % / Common name: acetone |
-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
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Processing
Software | Name: PROFFT / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 1.8→8 Å / σ(F): 1 /
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Refinement step | Cycle: LAST / Resolution: 1.8→8 Å
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Refine LS restraints |
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Software | *PLUS Name: PROFFT / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.177 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |