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- PDB-1q1r: Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida -
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Open data
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Basic information
Entry | Database: PDB / ID: 1q1r | ||||||
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Title | Crystal Structure of Putidaredoxin Reductase from Pseudomonas putida | ||||||
![]() | Putidaredoxin reductase | ||||||
![]() | OXIDOREDUCTASE / glutathione reductase fold | ||||||
Function / homology | ![]() putidaredoxin-NAD+ reductase / (+)-camphor catabolic process / oxidoreductase activity, acting on NAD(P)H / flavin adenine dinucleotide binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Sevrioukova, I.F. / Li, H. / Poulos, T.L. | ||||||
![]() | ![]() Title: Crystal structure of putidaredoxin reductase from Pseudomonas putida, the final structural component of the cytochrome P450cam monooxygenase. Authors: Sevrioukova, I.F. / Li, H. / Poulos, T.L. | ||||||
History |
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Remark 600 | HETEROGEN The het groups FAD 749 and FAD 750 are associated with chain A and chain B, respectively. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 187.7 KB | Display | ![]() |
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PDB format | ![]() | 147.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 921.4 KB | Display | ![]() |
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Full document | ![]() | 936.3 KB | Display | |
Data in XML | ![]() | 39.1 KB | Display | |
Data in CIF | ![]() | 57.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1q1wC ![]() 1dy7S C: citing same article ( S: Starting model for refinement |
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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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2 | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 46780.207 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P16640, Oxidoreductases; Acting on iron-sulfur proteins as donors; With NAD+ or NADP+ as acceptor #2: Chemical | #3: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.28 Å3/Da / Density % sol: 62.53 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 8 Details: lithium sulfate, lithium acetate, lithium formate, bis-tris propane, glycerol, dithiothreitol, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Method: vapor diffusion, sitting drop | ||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 200 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Apr 1, 2001 / Details: mirrors |
Radiation | Monochromator: Yale Mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.08 Å / Relative weight: 1 |
Reflection | Resolution: 1.91→29.57 Å / Num. all: 96593 / Num. obs: 95820 / % possible obs: 99.2 % / Observed criterion σ(F): 1 / Observed criterion σ(I): 3 / Redundancy: 3.5 % / Biso Wilson estimate: 20.2 Å2 / Rmerge(I) obs: 0.047 / Rsym value: 0.071 / Net I/σ(I): 16.8 |
Reflection shell | Resolution: 1.91→1.93 Å / Redundancy: 1.5 % / Rmerge(I) obs: 0.568 / Mean I/σ(I) obs: 1.5 / Num. unique all: 4607 / Rsym value: 0.679 / % possible all: 97.7 |
Reflection | *PLUS Highest resolution: 1.9 Å / Num. obs: 90180 |
Reflection shell | *PLUS % possible obs: 97.7 % / Mean I/σ(I) obs: 1.7 |
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Processing
Software |
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Refinement | Method to determine structure: ![]() Starting model: PDB entry 1DY7 Resolution: 1.91→29.57 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 2392839.38 / Data cutoff high rms absF: 2392839.38 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 1 / σ(I): 3 / Stereochemistry target values: Engh & Huber
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 43.3895 Å2 / ksol: 0.368943 e/Å3 | |||||||||||||||||||||||||
Displacement parameters | Biso mean: 30.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 1.91→29.57 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 1.91→1.97 Å / Rfactor Rfree error: 0.004 / Total num. of bins used: 10
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Xplor file |
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Refinement | *PLUS Highest resolution: 1.9 Å / Lowest resolution: 50 Å / % reflection Rfree: 5 % / Rfactor Rfree: 0.236 / Rfactor Rwork: 0.213 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
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