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- PDB-1qjg: Crystal structure of delta5-3-ketosteroid isomerase from Pseudomo... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1qjg | ||||||
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Title | Crystal structure of delta5-3-ketosteroid isomerase from Pseudomonas testosteroni in complex with equilenin | ||||||
![]() | KETOSTEROID ISOMERASE | ||||||
![]() | ISOMERASE / KETOSTEROID ISOMERASE / KSI / STEROID ISOMERATION | ||||||
Function / homology | ![]() steroid Delta-isomerase / steroid delta-isomerase activity / steroid metabolic process Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Cho, H.-S. / Oh, B.-H. | ||||||
![]() | ![]() Title: Crystal Structure of Delta-5-3-Ketosteroid Isomerase from Pseudomonas Testosteroni in Complex with Equilenin Settles the Correct Hydrogen Scheme for Transition-State Stabilization Authors: Cho, H.-S. / Ha, N.-C. / Choi, G. / Kim, H.-J. / Lee, D. / Oh, K.S. / Kim, K.S. / Lee, W. / Choi, K.Y. / Oh, B.-H. #1: ![]() Title: Crystal Structure of Delta-Ketosteroid Isomerase from Pseudomonas Testosteroni. Authors: Cho, H.-S. / Choi, G. / Choi, K.Y. / Oh, B.-H. | ||||||
History |
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Remark 650 | HELIX DETERMINATION METHOD: AUTHOR PROVIDED. | ||||||
Remark 700 | SHEET DETERMINATION METHOD: AUTHOR PROVIDED. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 187.9 KB | Display | ![]() |
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PDB format | ![]() | 152.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 647.6 KB | Display | ![]() |
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Full document | ![]() | 704.7 KB | Display | |
Data in XML | ![]() | 17 KB | Display | |
Data in CIF | ![]() | 27.8 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8choS 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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3 | ![]()
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Unit cell |
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Details | THE ASYMMETRIC UNIT CONTAINS 3 INDEPENDENT COPIES OF THEBIOMOLECULE WHICH CONSISTS OF A HOMO -DIMERIC-COMPLEX |
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Components
#1: Protein | Mass: 13423.171 Da / Num. of mol.: 6 / Mutation: YES Source method: isolated from a genetically manipulated source Details: EQUILENIN, SO4 / Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-EQU / #3: Chemical | ChemComp-SO4 / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.5 Å3/Da / Density % sol: 60 % | |||||||||||||||||||||||||
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Crystal grow | pH: 4.6 Details: PEG 4000 25%, 0.1M SODIUM ACETATE, PH 4.6, 0.2M AMMONIUM SULFATE | |||||||||||||||||||||||||
Crystal | *PLUS | |||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 12 ℃ / Method: vapor diffusion | |||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 287 K |
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Diffraction source | Source: ![]() |
Detector | Type: MACSCIENCE / Detector: IMAGE PLATE |
Radiation | Monochromator: GRAPHITE(002) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.26→20 Å / Num. obs: 37500 / % possible obs: 96 % / Observed criterion σ(I): 1 / Redundancy: 2 % / Rmerge(I) obs: 0.05 / Rsym value: 0.069 |
Reflection shell | Resolution: 2.26→2.34 Å / % possible all: 90 |
Reflection | *PLUS Num. measured all: 102917 / Rmerge(I) obs: 0.069 |
Reflection shell | *PLUS % possible obs: 90 % |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 8CHO Resolution: 2.3→10 Å / Cross valid method: THROUGHOUT / σ(F): 1
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Refinement step | Cycle: LAST / Resolution: 2.3→10 Å
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Refine LS restraints |
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Rfactor obs: 0.196 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
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