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- PDB-3e7t: Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 -
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Open data
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Basic information
Entry | Database: PDB / ID: 3e7t | ||||||
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Title | Structure of murine iNOS oxygenase domain with inhibitor AR-C102222 | ||||||
![]() | Nitric oxide synthase, inducible![]() | ||||||
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Function / homology | ![]() Nitric oxide stimulates guanylate cyclase / ROS and RNS production in phagocytes / prostaglandin secretion / G protein-coupled receptor signaling pathway coupled to cGMP nucleotide second messenger / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. ...Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. / St-Gallay, S.A. / Tinker, A.C. / Gensmantel, N.P. / Mete, A. / Cheshire, D.R. / Connolly, S. / Stuehr, D.J. / Aberg, A. / Wallace, A.V. / Tainer, J.A. / Getzoff, E.D. | ||||||
![]() | ![]() Title: Anchored plasticity opens doors for selective inhibitor design in nitric oxide synthase. Authors: Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. / St-Gallay, S.A. / Tinker, A.C. / ...Authors: Garcin, E.D. / Arvai, A.S. / Rosenfeld, R.J. / Kroeger, M.D. / Crane, B.R. / Andersson, G. / Andrews, G. / Hamley, P.J. / Mallinder, P.R. / Nicholls, D.J. / St-Gallay, S.A. / Tinker, A.C. / Gensmantel, N.P. / Mete, A. / Cheshire, D.R. / Connolly, S. / Stuehr, D.J. / Aberg, A. / Wallace, A.V. / Tainer, J.A. / Getzoff, E.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 | ![]() | 187 KB | Display | ![]() |
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PDB format | ![]() | 154.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.3 MB | Display | ![]() |
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Full document | ![]() | 1.3 MB | Display | |
Data in XML | ![]() | 41.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3e65C ![]() 3e67C ![]() 3e68C ![]() 3e6lC ![]() 3e6nC ![]() 3e6oC ![]() 3e6tC ![]() 3e7gC ![]() 3e7iC ![]() 3e7mC ![]() 3e7sC ![]() 3eahC ![]() 3eaiC ![]() 3ebdC ![]() 3ebfC ![]() 3ej8C C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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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: 50120.953 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 331 molecules 








#2: Chemical | ChemComp-SO4 / ![]() | ||||||
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#3: Chemical | ![]() #4: Chemical | ![]() #5: Chemical | #6: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.86 Å3/Da / Density % sol: 68.15 % |
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Crystal grow![]() | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6 Details: LITHIUM SULFATE, MES, BOG, PH 6.0, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Feb 16, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.6→20 Å / Num. obs: 44360 / % possible obs: 96.2 % / Observed criterion σ(I): 0 / Biso Wilson estimate: 42.3 Å2 / Rmerge(I) obs: 0.064 / Rsym value: 0.064 |
Reflection shell | Resolution: 2.6→2.69 Å / Rmerge(I) obs: 0.407 / Mean I/σ(I) obs: 2.7 / Rsym value: 0.407 / % possible all: 93.6 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 47.03 Å2 / ksol: 0.31 e/Å3 | ||||||||||||||||||||||||||||
Displacement parameters | Biso max: 144.45 Å2 / Biso mean: 52.166 Å2 / Biso min: 18.53 Å2
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Refinement step | Cycle: LAST / Resolution: 2.6→19.99 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.6→2.69 Å / Num. reflection Rwork: 6568 / Total num. of bins used: 6 | ||||||||||||||||||||||||||||
Xplor file |
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