+Open data
-Basic information
Entry | Database: PDB / ID: 2uy4 | ||||||
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Title | ScCTS1_acetazolamide crystal structure | ||||||
Components | ENDOCHITINASE | ||||||
Keywords | HYDROLASE / CARBOHYDRATE METABOLISM / POLYSACCHARIDE DEGRADATION / CHITINASE ACTIVITY AND GLYCOSIDE HYDROLASE FAMILY 18 / GLYCOPROTEIN / CHITIN-BINDING / CHITIN DEGRADATION / CAZY / CELL WALL / GLYCOSIDASE | ||||||
Function / homology | Function and homology information endochitinase activity / septum digestion after cytokinesis / fungal-type cell wall / cellular bud neck / chitinase / fungal-type vacuole / chitinase activity / chitin catabolic process / chitin binding / polysaccharide catabolic process ...endochitinase activity / septum digestion after cytokinesis / fungal-type cell wall / cellular bud neck / chitinase / fungal-type vacuole / chitinase activity / chitin catabolic process / chitin binding / polysaccharide catabolic process / cell wall organization / nuclear envelope / endoplasmic reticulum / extracellular region Similarity search - Function | ||||||
Biological species | SACCHAROMYCES CEREVISIAE (brewer's yeast) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.75 Å | ||||||
Authors | Hurtado-Guerrero, R. / van Aalten, D.M.F. | ||||||
Citation | Journal: Chem.Biol. / Year: 2007 Title: Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors. Authors: Hurtado-Guerrero, R. / Van Aalten, D.M.F. | ||||||
History |
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Remark 700 | SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW ... SHEET DETERMINATION METHOD: DSSP THE SHEETS PRESENTED AS "AA" IN EACH CHAIN ON SHEET RECORDS BELOW IS ACTUALLY AN 9-STRANDED BARREL THIS IS REPRESENTED BY A 10-STRANDED SHEET IN WHICH THE FIRST AND LAST STRANDS ARE IDENTICAL. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2uy4.cif.gz | 71.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2uy4.ent.gz | 52.6 KB | Display | PDB format |
PDBx/mmJSON format | 2uy4.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2uy4_validation.pdf.gz | 418.2 KB | Display | wwPDB validaton report |
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Full document | 2uy4_full_validation.pdf.gz | 418.8 KB | Display | |
Data in XML | 2uy4_validation.xml.gz | 7.8 KB | Display | |
Data in CIF | 2uy4_validation.cif.gz | 12 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/uy/2uy4 ftp://data.pdbj.org/pub/pdb/validation_reports/uy/2uy4 | HTTPS FTP |
-Related structure data
Related structure data | 2uy2C 2uy3C 2uy5C 2hvmS C: citing same article (ref.) S: Starting model for refinement |
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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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Components on special symmetry positions |
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-Components
#1: Protein | Mass: 31530.234 Da / Num. of mol.: 1 / Fragment: RESIDUES 22-315 Source method: isolated from a genetically manipulated source Source: (gene. exp.) SACCHAROMYCES CEREVISIAE (brewer's yeast) Production host: PICHIA PASTORIS (fungus) / Strain (production host): X-33 / References: UniProt: P29029, chitinase |
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#2: Chemical | ChemComp-AZM / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION |
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-Sample preparation
Crystal | Density Matthews: 2.4 Å3/Da / Density % sol: 47.7 % |
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-Data collection
Diffraction | Mean temperature: 77 K |
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Diffraction source | Source: SYNCHROTRON / Site: ESRF / Beamline: ID14-1 / Wavelength: 0.931 |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.931 Å / Relative weight: 1 |
Reflection | Resolution: 1.75→20 Å / Num. obs: 30667 / % possible obs: 95.4 % / Redundancy: 4 % / Rmerge(I) obs: 0.07 / Net I/σ(I): 9.4 |
Reflection shell | Resolution: 1.75→1.81 Å / Redundancy: 3.7 % / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 2.4 / % possible all: 96.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2HVM Resolution: 1.75→20 Å / Cor.coef. Fo:Fc: 0.965 / Cor.coef. Fo:Fc free: 0.942 / SU B: 6.038 / SU ML: 0.086 / TLS residual ADP flag: LIKELY RESIDUAL / Cross valid method: THROUGHOUT / ESU R: 0.112 / ESU R Free: 0.117 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS.
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 33.3 Å2
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Refinement step | Cycle: LAST / Resolution: 1.75→20 Å
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Refine LS restraints |
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