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- PDB-1foj: BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WI... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1foj | ||||||
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Title | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT) | ||||||
![]() | NITRIC-OXIDE SYNTHASE![]() | ||||||
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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) / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Raman, C.S. / Li, H. / Martasek, P. / Masters, B.S. / Poulos, T.L. | ||||||
![]() | ![]() Title: Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism Authors: Raman, C.S. / Li, H. / Martasek, P. / Southan, G. / Masters, B.S. / Poulos, T.L. #1: ![]() Title: Crystal structure of constitutive endothelial nitric oxide synthase: A paradigm for pterin function involving a novel metal center Authors: Raman, C.S. / Li, H. / Martasek, P. / Kral, V. / Masters, B.S. / Poulos, T.L. #2: ![]() Title: Structure of nitric oxide synthase oxygenase dimer with pterin and substrate Authors: Crane, B.R. / Arvai, A.S. / Ghosh, D.K. / Wu, C. / Getzoff, E.D. / Stuehr, D.J. / Tainer, J.A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 190.1 KB | Display | ![]() |
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PDB format | ![]() | 148.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related 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: 49710.105 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: CACODYLATE (RESIDUE CAC) BINDS TO SG CYS 384 OF BOTH CHAINS Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
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-Non-polymers , 7 types, 385 molecules ![](data/chem/img/CAC.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/HEM.gif)
![](data/chem/img/7NI.gif)
![](data/chem/img/7I2.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/ACT.gif)
![](data/chem/img/ZN.gif)
![](data/chem/img/HEM.gif)
![](data/chem/img/7NI.gif)
![](data/chem/img/7I2.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ![]() #3: Chemical | ChemComp-ACT / ![]() #4: Chemical | ChemComp-ZN / | #5: Chemical | ![]() #6: Chemical | ![]() #7: Chemical | #8: Water | ChemComp-HOH / | ![]() |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.43 Å3/Da / Density % sol: 49.42 % | ||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | Temperature: 280 K / Method: vapor diffusion, sitting drop / pH: 6.5 Details: PEG 4000, cacodylate, magnesium acetate, pH 6.5, VAPOR DIFFUSION, SITTING DROP at 280K | ||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Details: Raman, C.S., (1998) Cell (Cambridge,Mass.), 95, 939. | ||||||||||||||||||||||||||||||||||||||||||
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 / Date: Feb 20, 1999 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.1→20 Å / Num. obs: 54878 / % possible obs: 95.2 % / Observed criterion σ(I): -3 / Redundancy: 2.6 % / Biso Wilson estimate: 30.8 Å2 / Rmerge(I) obs: 0.058 / Net I/σ(I): 8.4 |
Reflection shell | Resolution: 2.1→2.14 Å / Redundancy: 2.2 % / Rmerge(I) obs: 0.599 / Num. unique all: 54878 / % possible all: 96.5 |
Reflection | *PLUS Highest resolution: 2.1 Å / Num. measured all: 141597 |
Reflection shell | *PLUS % possible obs: 96.5 % / Rmerge(I) obs: 0.761 / Mean I/σ(I) obs: 1.5 |
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Processing
Software |
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Refinement | Resolution: 2.1→19.85 Å / Rfactor Rfree error: 0.006 / Data cutoff high absF: 478293.35 / 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: 56.08 Å2 / ksol: 0.367 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 45.1 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.1→19.85 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.1→2.18 Å / Rfactor Rfree error: 0.032 / Total num. of bins used: 10
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Software | *PLUS Name: CNS / Version: 0.9 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS σ(F): 0 / % reflection Rfree: 4.4 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS Biso mean: 45.1 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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LS refinement shell | *PLUS Rfactor Rfree: 0.43 / % reflection Rfree: 4.2 % / Rfactor Rwork: 0.423 |