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- PDB-3e7s: Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 -
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Open data
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Basic information
Entry | Database: PDB / ID: 3e7s | ||||||
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Title | Structure of bovine eNOS oxygenase domain with inhibitor AR-C95791 | ||||||
![]() | (Nitric oxide synthase, ...) x 2 | ||||||
![]() | OXIDOREDUCTASE / NITRIC OXIDE SYNTHASE / NOS / HEME / TETRAHYDROBIOPTERIN / OXIDOREDUCTASE Calmodulin-binding / FAD / FMN / Iron / Metal-binding / NADP / Polymorphism / Zinc | ||||||
Function / homology | ![]() cellular response to laminar fluid shear stress / positive regulation of guanylate cyclase activity / negative regulation of leukocyte cell-cell adhesion / nitric-oxide synthase (NADPH) / nitric oxide mediated signal transduction / nitric-oxide synthase activity / arginine catabolic process / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / nitric oxide biosynthetic process / negative regulation of blood pressure ...cellular response to laminar fluid shear stress / positive regulation of guanylate cyclase activity / negative regulation of leukocyte cell-cell adhesion / nitric-oxide synthase (NADPH) / nitric oxide mediated signal transduction / nitric-oxide synthase activity / arginine catabolic process / negative regulation of extrinsic apoptotic signaling pathway via death domain receptors / nitric oxide biosynthetic process / negative regulation of blood pressure / mitochondrion organization / response to hormone / caveola / blood coagulation / FMN binding / NADP binding / flavin adenine dinucleotide binding / response to lipopolysaccharide / cytoskeleton / calmodulin binding / heme binding / Golgi apparatus / nucleus / metal ion binding / plasma membrane / cytosol 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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Remark 999 | SEQUENCE BASED ON THE CLEAR ELECTRON DENSITY AND SEQUENCE ALIGNMENTS SHOWING AN ARG RESIDUE AT ... SEQUENCE BASED ON THE CLEAR ELECTRON DENSITY AND SEQUENCE ALIGNMENTS SHOWING AN ARG RESIDUE AT THIS POSITION IN OTHER ISOFORMS, THE AUTHORS CONFIRM THAT RESIDUE 97 IS AN ARG AND NOT A CYS |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 181.2 KB | Display | ![]() |
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PDB format | ![]() | 141.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.9 MB | Display | ![]() |
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Full document | ![]() | 1.9 MB | Display | |
Data in XML | ![]() | 36.4 KB | Display | |
Data in CIF | ![]() | 49 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 3e65C ![]() 3e67C ![]() 3e68C ![]() 3e6lC ![]() 3e6nC ![]() 3e6oC ![]() 3e6tC ![]() 3e7gC ![]() 3e7iC ![]() 3e7mC ![]() 3e7tC ![]() 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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1 |
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Unit cell |
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Components
-Nitric oxide synthase, ... , 2 types, 2 molecules AB
#1: Protein | Mass: 48393.703 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: no chemical modification of the Cys381 / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Protein | Mass: 48497.688 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: the Cys381 is chemically modified / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
-Non-polymers , 4 types, 174 molecules ![](data/chem/img/ZN.gif)
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![](data/chem/img/AT2.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/HEC.gif)
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#3: Chemical | ChemComp-ZN / | ||||
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#4: Chemical | #5: Chemical | ChemComp-AT2 / #6: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.49 Å3/Da / Density % sol: 50.54 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 6 Details: MAGNESIUM ACETATE, SODIUM CACODYLATE, TCEP, 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: MARRESEARCH / Detector: IMAGE PLATE / Date: Apr 15, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→30 Å / Num. obs: 29456 / % possible obs: 86 % / Observed criterion σ(I): 0 / Rmerge(I) obs: 0.084 / Rsym value: 0.084 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Bsol: 22.51 Å2 | ||||||||||||||||||||
Displacement parameters | Biso max: 83.62 Å2 / Biso mean: 28.016 Å2 / Biso min: 2.8 Å2
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Refinement step | Cycle: LAST / Resolution: 2.5→30 Å
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Refine LS restraints |
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