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Yorodumi- PDB-2g6o: Structure of bovine eNOS heme domain (BH4-free) complexed with CO -
+Open data
-Basic information
Entry | Database: PDB / ID: 2g6o | ||||||
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Title | Structure of bovine eNOS heme domain (BH4-free) complexed with CO | ||||||
Components | Nitric-oxide synthase, endothelial | ||||||
Keywords | OXIDOREDUCTASE / nitric oxide synthase / heme protein / diatomic ligand | ||||||
Function / homology | Function and homology information 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 / response to hormone / mitochondrion organization / caveola / blood coagulation / FMN binding / NADP binding / flavin adenine dinucleotide binding / response to lipopolysaccharide / calmodulin binding / cytoskeleton / heme binding / Golgi apparatus / nucleus / metal ion binding / plasma membrane / cytosol Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 1.9 Å | ||||||
Authors | Li, H. / Igarashi, J. / Jamal, J. / Yang, W. / Poulos, T.L. | ||||||
Citation | Journal: J.Biol.Inorg.Chem. / Year: 2006 Title: Structural studies of constitutive nitric oxide synthases with diatomic ligands bound. Authors: Li, H. / Igarashi, J. / Jamal, J. / Yang, W. / Poulos, T.L. #1: Journal: Biochemistry / Year: 2001 Title: Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors. Authors: Li, H. / Raman, C.S. / Martasek, P. / Masters, B.S. / Poulos, T.L. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2g6o.cif.gz | 193.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb2g6o.ent.gz | 151.4 KB | Display | PDB format |
PDBx/mmJSON format | 2g6o.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2g6o_validation.pdf.gz | 1.2 MB | Display | wwPDB validaton report |
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Full document | 2g6o_full_validation.pdf.gz | 1.2 MB | Display | |
Data in XML | 2g6o_validation.xml.gz | 40 KB | Display | |
Data in CIF | 2g6o_validation.cif.gz | 57.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/g6/2g6o ftp://data.pdbj.org/pub/pdb/validation_reports/g6/2g6o | HTTPS FTP |
-Related structure data
Related structure data | 2g6hC 2g6iC 2g6jC 2g6kC 2g6lC 2g6mC 2g6nC C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Protein , 1 types, 2 molecules AB
#1: Protein | Mass: 46854.027 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (cattle) / Gene: NOS3 / Plasmid: pCWori / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: P29473, nitric-oxide synthase (NADPH) |
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-Non-polymers , 8 types, 622 molecules
#2: Chemical | #3: Chemical | #4: Chemical | ChemComp-ZN / | #5: Chemical | #6: Chemical | #7: Chemical | #8: Chemical | #9: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.55 Å3/Da / Density % sol: 51.79 % |
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Crystal grow | Temperature: 280 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: PEG3350, cacodylate magnessium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 280K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SSRL / Beamline: BL7-1 / Wavelength: 1.08 Å |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Dec 3, 1999 / Details: mirrors |
Radiation | Monochromator: graphite / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.9→50 Å / Num. obs: 73961 / % possible obs: 0.982 % / Observed criterion σ(I): -3 / Redundancy: 3.8 % / Biso Wilson estimate: 26 Å2 / Rmerge(I) obs: 0.068 / Rsym value: 0.068 / Net I/σ(I): 7.7 |
Reflection shell | Resolution: 1.9→1.95 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.598 / Mean I/σ(I) obs: 2 / Rsym value: 0.598 / % possible all: 0.994 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS / Resolution: 1.9→34.96 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 2228365.59 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 53.0244 Å2 / ksol: 0.388795 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 36.3 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.9→34.96 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.9→1.97 Å / Rfactor Rfree error: 0.02 / Total num. of bins used: 10
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Xplor file |
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