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- PDB-1ht8: THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH A... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1ht8 | ||||||
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Title | THE 2.7 ANGSTROM RESOLUTION MODEL OF OVINE COX-1 COMPLEXED WITH ALCLOFENAC | ||||||
![]() | PROSTAGLANDIN H2 SYNTHASE-1 | ||||||
![]() | OXIDOREDUCTASE / MEMBRANE PROTEIN / PEROXIDASE / DIOXYGENASE | ||||||
Function / homology | ![]() prostaglandin-endoperoxide synthase / prostaglandin-endoperoxide synthase activity / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / cyclooxygenase pathway / prostaglandin biosynthetic process / regulation of blood pressure / peroxidase activity / response to oxidative stress / neuron projection / intracellular membrane-bounded organelle ...prostaglandin-endoperoxide synthase / prostaglandin-endoperoxide synthase activity / oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen / cyclooxygenase pathway / prostaglandin biosynthetic process / regulation of blood pressure / peroxidase activity / response to oxidative stress / neuron projection / intracellular membrane-bounded organelle / heme binding / endoplasmic reticulum membrane / protein homodimerization activity / metal ion binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Selinsky, B.S. / Gupta, K. / Sharkey, C.T. / Loll, P.J. | ||||||
![]() | ![]() Title: Structural analysis of NSAID binding by prostaglandin H2 synthase: time-dependent and time-independent inhibitors elicit identical enzyme conformations. Authors: Selinsky, B.S. / Gupta, K. / Sharkey, C.T. / Loll, P.J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 241.1 KB | Display | ![]() |
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PDB format | ![]() | 194.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.7 MB | Display | ![]() |
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Full document | ![]() | 1.7 MB | Display | |
Data in XML | ![]() | 46.8 KB | Display | |
Data in CIF | ![]() | 63.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1eqgC ![]() 1eqhC ![]() 1ht5C ![]() 1cqeS C: citing same article ( 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
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 63511.938 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) ![]() ![]() References: UniProt: P05979, prostaglandin-endoperoxide synthase |
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-Sugars , 2 types, 11 molecules ![](data/chem/img/NAG.gif)
![](data/chem/img/BOG.gif)
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#2: Sugar | ChemComp-NAG / #3: Sugar | |
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-Non-polymers , 3 types, 239 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/34C.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/34C.gif)
![](data/chem/img/HOH.gif)
#4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 4.52 Å3/Da / Density % sol: 72.79 % | ||||||||||||||||||||||||
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.7 Details: PEG-4000, SODIUM CHLORIDE, BETA-OCTYL GLUCOSIDE, POTASSIUM PHOSPHATE (DIBASIC), pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 291K | ||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 ℃ / Method: vapor diffusion, sitting drop / Details: or 18 degrees centigrade | ||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 120 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Mar 13, 2000 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9795 Å / Relative weight: 1 |
Reflection | Resolution: 2.69→19.92 Å / Num. all: 64268 / Num. obs: 62943 / % possible obs: 98.2 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 3 / Redundancy: 6.48 % / Biso Wilson estimate: 24.4 Å2 / Rmerge(I) obs: 0.046 / Net I/σ(I): 26.4 |
Reflection shell | Resolution: 2.69→2.86 Å / Rmerge(I) obs: 0.125 / % possible all: 91.6 |
Reflection | *PLUS Num. measured all: 408172 |
Reflection shell | *PLUS % possible obs: 87 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1CQE Resolution: 2.69→19.92 Å / Rfactor Rfree error: 0.003 / Data cutoff high absF: 205089.39 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / σ(I): 3 / Stereochemistry target values: ENGH AND HUBER
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 25.07 Å2 / ksol: 0.361 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.9 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.69→19.92 Å
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Refine LS restraints |
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Refine LS restraints NCS | NCS model details: CONSTR | ||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.69→2.86 Å / Rfactor Rfree error: 0.011 / Total num. of bins used: 6
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Software | *PLUS Name: CNS / Version: 1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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