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- PDB-1ow2: STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIM... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ow2 | ||||||
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Title | STRUCTURE AND MECHANISM OF ACTION OF ISOPENTENYLPYROPHOSPHATE-DIMETHYLALLYLPYROPHOSPHATE ISOMERASE: COMPLEX OF C67A MUTANT WITH EIPP | ||||||
![]() | ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE | ||||||
![]() | ISOMERASE / COMPLEX | ||||||
Function / homology | ![]() isopentenyl-diphosphate Delta-isomerase / isopentenyl-diphosphate delta-isomerase activity / dimethylallyl diphosphate biosynthetic process / isoprenoid biosynthetic process / DNA damage response / magnesium ion binding / zinc ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Wouters, J. | ||||||
![]() | ![]() Title: Crystal structure of the C67A mutant of isopentenyl diphosphate isomerase complexed with a mechanism-based irreversible inhibitor Authors: Wouters, J. / Oudjama, Y. / Stalon, V. / Droogmans, L. / Poulter, C.D. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 88.7 KB | Display | ![]() |
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PDB format | ![]() | 65.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1009.3 KB | Display | ![]() |
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Full document | ![]() | 1022.5 KB | Display | |
Data in XML | ![]() | 18.6 KB | Display | |
Data in CIF | ![]() | 25.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1hztS S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 20612.324 Da / Num. of mol.: 2 / Mutation: C67A Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q46822, isopentenyl-diphosphate Delta-isomerase #2: Chemical | #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.45 Å3/Da / Density % sol: 53.87 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | pH: 5.5 Details: PEG 2000, MANGANESE CHLORIDE, AMMONIUM SULFATE, pH 5.50 | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS pH: 5.5 / Method: vapor diffusion, hanging drop | ||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Monochromator: mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 1.97→6.23 Å / Num. all: 32619 / Num. obs: 30025 / % possible obs: 98.2 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 4 / Redundancy: 3 % / Rmerge(I) obs: 0.066 / Net I/σ(I): 6.2 |
Reflection shell | Resolution: 1.97→2.09 Å / Redundancy: 2.9 % / Rmerge(I) obs: 0.128 / Mean I/σ(I) obs: 4.7 / % possible all: 98.2 |
Reflection | *PLUS Num. obs: 32619 / Num. measured all: 97958 |
Reflection shell | *PLUS Lowest resolution: 2.08 Å / % possible obs: 98.1 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1HZT Resolution: 2→6 Å / Num. parameters: 12097 / Num. restraintsaints: 12074 / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: ENGH AND HUBER
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Refine analyze | Num. disordered residues: 6 / Occupancy sum hydrogen: 0 / Occupancy sum non hydrogen: 2982 | |||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→6 Å
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Refine LS restraints |
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Software | *PLUS Name: SHELXL / Version: 97 / Classification: refinement | |||||||||||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 10 Å / Rfactor obs: 0.228 / Rfactor Rfree: 0.282 / Rfactor Rwork: 0.218 | |||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS |