+Open data
-Basic information
Entry | Database: PDB / ID: 1eyl | ||||||
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Title | STRUCTURE OF A RECOMBINANT WINGED BEAN CHYMOTRYPSIN INHIBITOR | ||||||
Components | CHYMOTRYPSIN INHIBITOR | ||||||
Keywords | HYDROLASE INHIBITOR / BETA TREFOIL | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Psophocarpus tetragonolobus (winged bean) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 1.9 Å | ||||||
Authors | Dattagupta, J.K. / Chakrabarti, C. / Ravichandran, S. / Ghosh, S. | ||||||
Citation | Journal: Protein Eng. / Year: 2001 Title: The role of Asn14 in the stability and conformation of the reactive-site loop of winged bean chymotrypsin inhibitor: crystal structures of two point mutants Asn14-->Lys and Asn14-->Asp. Authors: Ravichandran, S. / Dasgupta, J. / Chakrabarti, C. / Ghosh, S. / Singh, M. / Dattagupta, J.K. #1: Journal: Acta Crystallogr.,Sect.D / Year: 1999 Title: Cryocrystallography of a Kunitz-type serine protease inhibitor: the 90 K structure of winged bean chymotrypsin inhibitor (WCI) at 2.13 A resolution Authors: Ravichandran, S. / Sen, U. / Chakrabarti, C. / Dattagupta, J.K. #2: Journal: Proteins / Year: 1999 Title: Refined Crystal Structure (2.3 A) of a Double-Headed Winged Bean alpha-Chymotrypsin Inhibitor and Location of Its Second Reactive Site Authors: Dattagupta, J.K. / Podder, A. / Chakrabarti, C. / Sen, U. / Mukhopadhyay, D. / Dutta, S.K. / Singh, M. #3: Journal: Protein Expr.Purif. / Year: 1997 Title: cDNA Cloning, Expression, and Rapid Purification of a Kunitz-Type Winged Bean Chymotrypsin Inhibitor Authors: Ghosh, S. / Singh, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1eyl.cif.gz | 50.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1eyl.ent.gz | 39.1 KB | Display | PDB format |
PDBx/mmJSON format | 1eyl.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ey/1eyl ftp://data.pdbj.org/pub/pdb/validation_reports/ey/1eyl | HTTPS FTP |
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-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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3 |
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Unit cell |
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Components on special symmetry positions |
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Details | The biological assembly is a monomer constructed from chain A |
-Components
#1: Protein | Mass: 20674.332 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Psophocarpus tetragonolobus (winged bean) Organ: SEED / Plasmid: PTRC99A / Production host: Escherichia coli (E. coli) / References: UniProt: P10822 | ||
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#2: Chemical | ChemComp-SO4 / #3: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.68 Å3/Da / Density % sol: 54.18 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion / pH: 5.4 Details: ammonium sulfate, sodium acetate, pH 5.4, VAPOR DIFFUSION, temperature 277.0K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-4 / Wavelength: 0.934 |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Jul 17, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.934 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→25 Å / Num. all: 124633 / Num. obs: 18807 / % possible obs: 99.7 % / Observed criterion σ(F): 1.5 / Observed criterion σ(I): 1.5 / Redundancy: 6.6 % / Biso Wilson estimate: 26.8 Å2 / Rmerge(I) obs: 0.056 / Net I/σ(I): 6.7 |
Reflection shell | Resolution: 1.9→2 Å / Redundancy: 6 % / Rmerge(I) obs: 0.202 / Num. unique all: 2649 / % possible all: 99.5 |
-Processing
Software |
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Refinement | Resolution: 1.9→10 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber / Details: Used maximum likelihood (MLK) target function.
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Refinement step | Cycle: LAST / Resolution: 1.9→10 Å
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Refine LS restraints |
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