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- PDB-8ckn: Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis -
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Open data
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Basic information
Entry | Database: PDB / ID: 8ckn | |||||||||
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Title | Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis | |||||||||
![]() | P450 heme-thiolate protein | |||||||||
![]() | OXIDOREDUCTASE / Cytochrome P450 Heme-containing | |||||||||
Function / homology | ![]() 1,8-cineole 2-endo-monooxygenase / Oxidoreductases; Acting on paired donors, with incorporation or reduction of molecular oxygen / oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen / monooxygenase activity / iron ion binding / heme binding Similarity search - Function | |||||||||
Biological species | ![]() ![]() | |||||||||
Method | ![]() ![]() ![]() | |||||||||
![]() | Selvam, I.R. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: 1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis Authors: Selvam, I.R. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 209.1 KB | Display | ![]() |
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PDB format | ![]() | 133.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 802.8 KB | Display | ![]() |
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Full document | ![]() | 804.4 KB | Display | |
Data in XML | ![]() | 21 KB | Display | |
Data in CIF | ![]() | 33.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | Similarity search - Function & homology ![]() |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
-Protein , 1 types, 1 molecules A
#1: Protein | Mass: 43650.332 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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-Non-polymers , 5 types, 500 molecules ![](data/chem/img/HEM.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/PEG.gif)
![](data/chem/img/GOL.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-HEM / | ||
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#3: Chemical | ChemComp-PEG / | ||
#4: Chemical | ChemComp-GOL / | ||
#5: Chemical | ChemComp-CL / #6: Water | ChemComp-HOH / | |
-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.11 Å3/Da / Density % sol: 41.84 % |
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Crystal grow | Temperature: 277 K / Method: vapor diffusion, sitting drop Details: 0.15 M Magnesium acetate tetrahydrate 0.1 M Sodium citrate 20% v/v PEG Smear Broad pH 5.6 |
-Data collection
Diffraction | Mean temperature: 77 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER2 XE 16M / Detector: PIXEL / Date: Nov 26, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.54→37.83 Å / Num. obs: 51050 / % possible obs: 96.4 % / Redundancy: 3.4 % / Biso Wilson estimate: 13.11 Å2 / CC1/2: 1 / CC star: 1 / Rpim(I) all: 0.02 / Rrim(I) all: 0.03 / Net I/σ(I): 69.3 |
Reflection shell | Resolution: 1.54→1.595 Å / Redundancy: 3.3 % / Mean I/σ(I) obs: 23.12 / Num. unique obs: 4931 / CC1/2: 0.992 / CC star: 0.998 / Rpim(I) all: 0.04569 / Rrim(I) all: 0.08527 / % possible all: 92.48 |
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Processing
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Refinement | Method to determine structure: ![]() Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 17.86 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.54→37.83 Å
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Refine LS restraints |
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LS refinement shell |
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