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Yorodumi- PDB-2tld: CRYSTAL STRUCTURE OF AN ENGINEERED SUBTILISIN INHIBITOR COMPLEXED... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2tld | ||||||
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Title | CRYSTAL STRUCTURE OF AN ENGINEERED SUBTILISIN INHIBITOR COMPLEXED WITH BOVINE TRYPSIN | ||||||
Components |
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Keywords | HYDROLASE/HYDROLASE INHIBITOR / PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX / TRYPSIN) | ||||||
Function / homology | Function and homology information trypsin / serpin family protein binding / serine protease inhibitor complex / digestion / serine-type endopeptidase inhibitor activity / endopeptidase activity / serine-type endopeptidase activity / proteolysis / extracellular space / extracellular region / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 2.6 Å | ||||||
Authors | Mitsui, Y. / Takeuchi, Y. / Nonaka, T. / Nakamura, K.T. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 1992 Title: Crystal structure of an engineered subtilisin inhibitor complexed with bovine trypsin. Authors: Takeuchi, Y. / Nonaka, T. / Nakamura, K.T. / Kojima, S. / Miura, K. / Mitsui, Y. #1: Journal: J.Mol.Biol. / Year: 1991 Title: Refined Crystal Structure of the Complex of Subtilisin Bpn' and Streptomyces Subtilisin Inhibitor at 1.8 Angstroms Resolution Authors: Takeuchi, Y. / Satow, Y. / Nakamura, K.T. / Mitsui, Y. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2tld.cif.gz | 24.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2tld.ent.gz | 11.9 KB | Display | PDB format |
PDBx/mmJSON format | 2tld.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2tld_validation.pdf.gz | 313 KB | Display | wwPDB validaton report |
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Full document | 2tld_full_validation.pdf.gz | 313 KB | Display | |
Data in XML | 2tld_validation.xml.gz | 862 B | Display | |
Data in CIF | 2tld_validation.cif.gz | 3.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tl/2tld ftp://data.pdbj.org/pub/pdb/validation_reports/tl/2tld | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Atom site foot note | 1: PRO I 37 IS A CIS PROLINE. | ||||||||
Details | SSI IS A DIMERIC MOLECULE (I2) CONSISTING OF TWO IDENTICAL SUBUNITS. IT BINDS TWO TRYPSIN MOLECULES (2E) TO FORM A DIMERIC COMPLEX E2I2. THE CRYSTALLOGRAPHIC ASYMMETRIC UNIT CORRESPONDS TO HALF THE COMPLEX MOLECULE (EI). IN THIS ENTRY COORDINATES FOR ALPHA-CARBON ATOMS ARE PROVIDED FOR ONE CHAIN OF TRYPSIN USING THE CHAIN IDENTIFIER *E* AND FOR ONE CHAIN OF MODIFIED SSI USING THE CHAIN IDENTIFIER *I*. COORDINATES FOR THE OTHER EI COMPLEX CAN BE GENERATED FROM THE COORDINATES IN THIS ENTRY USING THE FOLLOWING TRANSFORMATION: -1.0 0.0 0.0 0.0 -1.0 0.0 0.0 0.0 1.0 |
-Components
#1: Protein | Mass: 22903.805 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
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#2: Protein | Mass: 11135.486 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source References: UniProt: P01006 |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 3.06 Å3/Da / Density % sol: 59.77 % | ||||||||||||||||||||||||||||||
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Crystal grow | *PLUS pH: 7 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | *PLUS Highest resolution: 2.6 Å / Num. obs: 7579 / Observed criterion σ(I): 2 / Num. measured all: 23106 / Rmerge(I) obs: 0.063 |
-Processing
Software | Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Refinement | Resolution: 2.6→8 Å /
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Refinement step | Cycle: LAST / Resolution: 2.6→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.6 Å / Lowest resolution: 8 Å / Num. reflection all: 6166 / Rfactor obs: 0.173 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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