+
Open data
-
Basic information
Entry | Database: PDB / ID: 1jip | ||||||
---|---|---|---|---|---|---|---|
Title | P450eryF(A245S)/ketoconazole | ||||||
![]() | CYTOCHROME P450 107A1 | ||||||
![]() | HYDROLASE / Cytochrome P450 / P450eryF / P450eryF(A245S) / ketoconazole / azole drug | ||||||
Function / homology | ![]() 6-deoxyerythronolide B hydroxylase / erythromycin biosynthetic process / cholest-4-en-3-one 26-monooxygenase activity / steroid hydroxylase activity / cholesterol catabolic process / monooxygenase activity / iron ion binding / heme binding / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Cupp-Vickery, J.R. / Garcia, C. / Hofacre, A. / McGee-Estrada, K. | ||||||
![]() | ![]() Title: Ketoconazole-induced conformational changes in the active site of cytochrome P450eryF. Authors: Cupp-Vickery, J.R. / Garcia, C. / Hofacre, A. / McGee-Estrada, K. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 96.7 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 71.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1 MB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 1 MB | Display | |
Data in XML | ![]() | 19.4 KB | Display | |
Data in CIF | ![]() | 26.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 45037.855 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
---|---|
#2: Chemical | ChemComp-HEM / |
#3: Chemical | ChemComp-KTN / |
#4: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.41 Å3/Da / Density % sol: 49.06 % | ||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: peg 4000, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K | ||||||||||||||||||||||||||||||
Crystal grow | *PLUS | ||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 298 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Relative weight: 1 |
Reflection | Resolution: 2→50 Å / Num. all: 30208 / Num. obs: 29386 / % possible obs: 97.3 % / Observed criterion σ(F): 1 |
Reflection | *PLUS Highest resolution: 2 Å / Lowest resolution: 60 Å / Num. obs: 29043 / % possible obs: 97.6 % / Num. measured all: 118088 / Rmerge(I) obs: 0.07 |
Reflection shell | *PLUS % possible obs: 91.8 % / Mean I/σ(I) obs: 1.6 |
-
Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: P450eryF without substrate Resolution: 2→50 Å / σ(F): 1
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→50 Å
| |||||||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2 Å / Lowest resolution: 60 Å / % reflection Rfree: 10 % / Rfactor obs: 0.19 / Rfactor Rfree: 0.23 / Rfactor Rwork: 0.19 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS |