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Yorodumi- PDB-1btx: Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1btx | ||||||
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Title | Episelection: Novel Ki ~Nanomolar Inhibitors of Serine Proteases Selected by Binding or Chemistry on an Enzyme Surface | ||||||
Components | BETA-TRYPSIN | ||||||
Keywords | HYDROLASE/HYDROLASE INHIBITOR / TRIPEPTIDEBORONATE ETHYL ESTER INHIBITED / SERINE PROTEINASE / HYDROLASE-HYDROLASE INHIBITOR COMPLEX | ||||||
Function / homology | Function and homology information cap snatching / virion component / hydrolase activity / RNA-directed RNA polymerase / viral RNA genome replication / RNA-dependent RNA polymerase activity / nucleotide binding / metal ion binding Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / Resolution: 1.7 Å | ||||||
Authors | Stroud, R.M. / Katz, B.A. / Finer-Moore, J. | ||||||
Citation | Journal: Biochemistry / Year: 1995 Title: Episelection: novel Ki approximately nanomolar inhibitors of serine proteases selected by binding or chemistry on an enzyme surface. Authors: Katz, B.A. / Finer-Moore, J. / Mortezaei, R. / Rich, D.H. / Stroud, R.M. #1: Journal: Proteins / Year: 1992 Title: Solvent Structure in Crystals of Trypsin Determined by X-Ray and Neutron Diffraction Authors: Finer-Moore, J.S. / Kossiakoff, A. / Hurley, J.H. / Earnest, T. / Stroud, R.M. #2: Journal: Proteins / Year: 1991 Title: 1.59 Angstrom Structure of Trypsin at 120K: Comparison of Low Temperature and Room Temperature Structures Authors: Earnest, T. / Fauman, E. / Craik, C.S. / Stroud, R.M. #3: Journal: Acta Crystallogr.,Sect.B / Year: 1977 Title: Difference Fourier Refinement of the Structure of Dip-Trypsin at 1.5 Angstroms Using a Minicomputer Technique Authors: Chambers, J.L. / Stroud, R.M. #4: Journal: J.Mol.Biol. / Year: 1974 Title: Structure and Specific Binding of Trypsin, Comparison of Inhibited Derivatives and a Model for Substrate Binding Authors: Krieger, M. / Kay, L.M. / Stroud, R.M. #5: Journal: Cold Spring Harbor Symp.Quant.Biol. / Year: 1972 Title: The Crystal and Molecular Structure of Dip-Inhibited Bovine Trypsin at 2.7 Angstroms Resolution Authors: Stroud, R.M. / Kay, L.M. / Dickerson, R.E. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1btx.cif.gz | 74.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1btx.ent.gz | 60.5 KB | Display | PDB format |
PDBx/mmJSON format | 1btx.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1btx_validation.pdf.gz | 493.4 KB | Display | wwPDB validaton report |
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Full document | 1btx_full_validation.pdf.gz | 498.2 KB | Display | |
Data in XML | 1btx_validation.xml.gz | 7.5 KB | Display | |
Data in CIF | 1btx_validation.cif.gz | 11.9 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/bt/1btx ftp://data.pdbj.org/pub/pdb/validation_reports/bt/1btx | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 24012.953 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Bos taurus (cattle) / References: UniProt: P00760, trypsin |
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#2: Chemical | ChemComp-0ZX / |
#3: Chemical | ChemComp-CA / |
#4: Water | ChemComp-HOH / |
Nonpolymer details | THE INHIBITOR WAS SYNTHESIZED AS THE PINANEDIOL DIESTER P-TOLUENESULFONATE SALT. THE ETHYL ESTER ...THE INHIBITOR WAS SYNTHESIZE |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.22 Å3/Da / Density % sol: 44.59 % | ||||||||||
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Crystal grow | *PLUS pH: 8.15 / Method: vapor diffusion, hanging drop / Details: used seeding | ||||||||||
Components of the solutions | *PLUS
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-Data collection
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
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Radiation wavelength | Relative weight: 1 |
Reflection | Num. obs: 10174 / % possible obs: 40.6 % / Observed criterion σ(I): 0 |
Reflection | *PLUS Highest resolution: 1.7 Å / Lowest resolution: 8 Å / Num. measured all: 15280 / Rmerge(I) obs: 0.08 |
-Processing
Software |
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Refinement | Resolution: 1.7→8 Å / σ(F): 0 /
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Refinement step | Cycle: LAST / Resolution: 1.7→8 Å
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Refine LS restraints |
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Software | *PLUS Name: X-PLOR / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.14 / Rfactor Rwork: 0.14 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |