[English] 日本語
![](img/lk-miru.gif)
- PDB-4ug6: Structure of Bacillus subtilis Nitric Oxide Synthase in complex w... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 4ug6 | ||||||
---|---|---|---|---|---|---|---|
Title | Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine) | ||||||
![]() | NITRIC OXIDE SYNTHASE OXYGENASE | ||||||
![]() | ![]() ![]() | ||||||
Function / homology | ![]() nitric-oxide synthase (flavodoxin) / ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Holden, J.K. / Poulos, T.L. | ||||||
![]() | ![]() Title: Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase. Authors: Holden, J.K. / Dejam, D. / Lewis, M.C. / Huang, H. / Kang, S. / Jing, Q. / Xue, F. / Silverman, R.B. / Poulos, T.L. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 177.6 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 140.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 4ug5C ![]() 4ug7C ![]() 4ug8C ![]() 4ug9C ![]() 4ugaC ![]() 4ugbC ![]() 4ugcC ![]() 4ugdC ![]() 4ugeC ![]() 4ugfC ![]() 4uggC ![]() 4ughC ![]() 4ugiC ![]() 4ugjC ![]() 4ugkC ![]() 4uglC ![]() 4ugmC ![]() 4ugnC ![]() 4ugoC ![]() 4ugpC ![]() 4ugqC ![]() 4ugrC ![]() 4ugsC ![]() 4ugtC ![]() 4uguC ![]() 4ugvC ![]() 4ugwC ![]() 4ugxC ![]() 4ugyC C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
Unit cell |
| ||||||||
Components on special symmetry positions |
|
-
Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 41787.082 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() ![]() |
---|
-Non-polymers , 7 types, 305 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/H4B.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/XFJ.gif)
![](data/chem/img/POL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/H4B.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/XFJ.gif)
![](data/chem/img/POL.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-HEM / ![]() | ||||
---|---|---|---|---|---|
#3: Chemical | ChemComp-H4B / ![]() | ||||
#4: Chemical | ChemComp-CL / ![]() | ||||
#5: Chemical | ChemComp-XFJ / | ||||
#6: Chemical | ![]() #7: Chemical | ![]() #8: Water | ChemComp-HOH / | ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.95 Å3/Da / Density % sol: 58.25 % / Description: NONE |
---|---|
Crystal grow![]() | pH: 7 / Details: pH 7.0 |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 325 mm CCD / Detector: CCD / Date: Dec 4, 2011 / Details: MIRRORS |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.81→1.85 Å / Num. obs: 45754 / % possible obs: 100 % / Observed criterion σ(I): -3 / Redundancy: 4.9 % / Biso Wilson estimate: 15.37 Å2 / Rmerge(I) obs: 0.26 / Net I/σ(I): 5.4 |
Reflection shell | Resolution: 1.81→1.85 Å / Redundancy: 4 % / Rmerge(I) obs: 1.21 / Mean I/σ(I) obs: 1.1 / % possible all: 99.9 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]()
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.81→38.115 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Method: refined / Origin x: 5.9775 Å / Origin y: 19.9076 Å / Origin z: 23.1376 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS group | Selection details: ALL |