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Yorodumi- PDB-1icp: CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO ... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1icp | ||||||
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Title | CRYSTAL STRUCTURE OF 12-OXOPHYTODIENOATE REDUCTASE 1 FROM TOMATO COMPLEXED WITH PEG400 | ||||||
Components | 12-OXOPHYTODIENOATE REDUCTASE 1 | ||||||
Keywords | OXIDOREDUCTASE / beta-alpha-barrel / PROTEIN-FMN-PEG complex | ||||||
Function / homology | Function and homology information 12-oxophytodienoate reductase / 12-oxophytodienoate reductase activity / oxylipin biosynthetic process / NADPH dehydrogenase activity / fatty acid biosynthetic process / FMN binding / oxidoreductase activity / cytosol Similarity search - Function | ||||||
Biological species | Solanum lycopersicum (tomato) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.9 Å | ||||||
Authors | Breithaupt, C. / Strassner, J. / Breitinger, U. / Huber, R. / Macheroux, P. / Schaller, A. / Clausen, T. | ||||||
Citation | Journal: Structure / Year: 2001 Title: X-ray structure of 12-oxophytodienoate reductase 1 provides structural insight into substrate binding and specificity within the family of OYE. Authors: Breithaupt, C. / Strassner, J. / Breitinger, U. / Huber, R. / Macheroux, P. / Schaller, A. / Clausen, T. | ||||||
History |
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Remark 600 | HETEROGEN THE LIGAND 2PE IS ALSO REFERRED TO AS PEG400. |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1icp.cif.gz | 165.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1icp.ent.gz | 127.9 KB | Display | PDB format |
PDBx/mmJSON format | 1icp.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1icp_validation.pdf.gz | 1.4 MB | Display | wwPDB validaton report |
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Full document | 1icp_full_validation.pdf.gz | 1.4 MB | Display | |
Data in XML | 1icp_validation.xml.gz | 33.5 KB | Display | |
Data in CIF | 1icp_validation.cif.gz | 48.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ic/1icp ftp://data.pdbj.org/pub/pdb/validation_reports/ic/1icp | HTTPS FTP |
-Related structure data
Related structure data | 1icqC 1icsC 1oyaS 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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2 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 42443.035 Da / Num. of mol.: 2 / Mutation: R142M Source method: isolated from a genetically manipulated source Source: (gene. exp.) Solanum lycopersicum (tomato) / Gene: OPR1 / Plasmid: PGEX-G / Species (production host): Escherichia coli / Production host: Escherichia coli BL21 (bacteria) / Strain (production host): BL21 / References: UniProt: Q9XG54, 12-oxophytodienoate reductase |
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-Non-polymers , 5 types, 490 molecules
#2: Chemical | ChemComp-CL / | ||||||
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#3: Chemical | #4: Chemical | #5: Chemical | #6: 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: 2.81 Å3/Da / Density % sol: 56.16 % | ||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 7.5 Details: Tris/HCl, ammonium sulfate, PEG400, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ / pH: 7 | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: EMBL/DESY, HAMBURG / Beamline: BW7A / Wavelength: 1.033 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Nov 28, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.033 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→25 Å / Num. obs: 66928 / % possible obs: 91.8 % / Redundancy: 1.7 % / Biso Wilson estimate: 16.1 Å2 / Rmerge(I) obs: 0.049 / Net I/σ(I): 13.1 |
Reflection shell | Resolution: 1.9→1.96 Å / Redundancy: 1.6 % / Rmerge(I) obs: 0.343 / Mean I/σ(I) obs: 1.9 / Num. unique all: 5356 / % possible all: 88.5 |
Reflection | *PLUS Num. measured all: 101396 |
Reflection shell | *PLUS % possible obs: 88.5 % |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: pdb: 1OYA Resolution: 1.9→22.9 Å / Cross valid method: THROUGHOUT / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 26 Å2 | |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.9→22.9 Å
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Refine LS restraints |
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | |||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 22.9 Å / % reflection Rfree: 5 % / Rfactor obs: 0.182 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 26 Å2 | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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