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- PDB-8jnp: Crystal structure of cytochrome P450 CftA from Streptomyces torul... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8jnp | |||||||||
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Title | Crystal structure of cytochrome P450 CftA from Streptomyces torulosus NRRL B-3889, in complex with the substrate ikarugamycin | |||||||||
![]() | Cytochrome P450 CftA | |||||||||
![]() | OXIDOREDUCTASE / Actinomadura viridis / hydrolase / Lobophorin / deglycosylation | |||||||||
Function / homology | Chem-EIA / PROTOPORPHYRIN IX CONTAINING FE![]() | |||||||||
Biological species | ![]() | |||||||||
Method | ![]() ![]() | |||||||||
![]() | Jiang, P. / Zhang, L.P. / Zhang, C.S. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: A Mechanistic Understanding of the Distinct Regio- and Chemoselectivity of Multifunctional P450s by Structural Comparison of IkaD and CftA Complexed with Common Substrates. Authors: Jiang, P. / Jin, H. / Zhang, G. / Zhang, W. / Liu, W. / Zhu, Y. / Zhang, C. / Zhang, L. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 171.2 KB | Display | ![]() |
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PDB format | ![]() | 134 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.1 MB | Display | ![]() |
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Full document | ![]() | 1.1 MB | Display | |
Data in XML | ![]() | 20.7 KB | Display | |
Data in CIF | ![]() | 31.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8jncC ![]() 8jnoC ![]() 8jnqC ![]() 8jooC ![]() 8juaC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | Mass: 44088.637 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical | ChemComp-EIA / ( |
#3: Chemical | ChemComp-HEM / |
#4: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.83 Å3/Da / Density % sol: 56.61 % |
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Crystal grow | Temperature: 289 K / Method: vapor diffusion, sitting drop / pH: 6 / Details: 0.2M sodium chloride, 0.1M MES, 20% W/V PEG 6000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() |
Detector | Type: DECTRIS PILATUS 200K / Detector: PIXEL / Date: Sep 22, 2021 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54184 Å / Relative weight: 1 |
Reflection | Resolution: 2→19.06 Å / Num. obs: 34584 / % possible obs: 99.9 % / Redundancy: 10.5 % / CC1/2: 0.998 / Rmerge(I) obs: 0.106 / Rpim(I) all: 0.033 / Rrim(I) all: 0.111 / Χ2: 0.97 / Net I/σ(I): 13.5 / Num. measured all: 362272 |
Reflection shell | Resolution: 2→2.05 Å / % possible obs: 100 % / Redundancy: 7.2 % / Rmerge(I) obs: 0.559 / Num. measured all: 18120 / Num. unique obs: 2504 / CC1/2: 0.926 / Rpim(I) all: 0.222 / Rrim(I) all: 0.602 / Χ2: 0.48 / Net I/σ(I) obs: 2.3 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→19.06 Å
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Refine LS restraints |
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LS refinement shell |
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