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- PDB-4fdh: Structure of human aldosterone synthase, CYP11B2, in complex with... -
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Open data
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Basic information
Entry | Database: PDB / ID: 4fdh | ||||||
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Title | Structure of human aldosterone synthase, CYP11B2, in complex with fadrozole | ||||||
![]() | Cytochrome P450 11B2, mitochondrial | ||||||
![]() | OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / cytochrome P450 / CYP11B2 / Aldosterone synthase / monooxygenase / heme protein / mineralocorticoid / inhibitor / mitochondria / membrane / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex | ||||||
Function / homology | ![]() corticosterone 18-monooxygenase / regulation of blood volume by renal aldosterone / Defective CYP11B2 causes CMO-1 deficiency / mineralocorticoid biosynthetic process / steroid 11beta-monooxygenase / steroid 11-beta-monooxygenase activity / corticosterone 18-monooxygenase activity / cortisol metabolic process / aldosterone biosynthetic process / cortisol biosynthetic process ...corticosterone 18-monooxygenase / regulation of blood volume by renal aldosterone / Defective CYP11B2 causes CMO-1 deficiency / mineralocorticoid biosynthetic process / steroid 11beta-monooxygenase / steroid 11-beta-monooxygenase activity / corticosterone 18-monooxygenase activity / cortisol metabolic process / aldosterone biosynthetic process / cortisol biosynthetic process / Mineralocorticoid biosynthesis / glucocorticoid biosynthetic process / Glucocorticoid biosynthesis / sodium ion homeostasis / sterol metabolic process / cellular response to potassium ion / C21-steroid hormone biosynthetic process / potassium ion homeostasis / renal water homeostasis / cellular response to peptide hormone stimulus / steroid hydroxylase activity / Endogenous sterols / cellular response to hormone stimulus / cholesterol metabolic process / mitochondrial inner membrane / iron ion binding / heme binding / mitochondrion Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Strushkevich, N. / Shen, L. / Tempel, W. / Arrowsmith, C. / Edwards, A. / Usanov, S.A. / Park, H.-W. | ||||||
![]() | ![]() Title: Structural insights into aldosterone synthase substrate specificity and targeted inhibition. Authors: Strushkevich, N. / Gilep, A.A. / Shen, L. / Arrowsmith, C.H. / Edwards, A.M. / Usanov, S.A. / Park, H.W. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 1.1 MB | Display | ![]() |
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PDB format | ![]() | 910.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 4 MB | Display | ![]() |
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Full document | ![]() | 4.2 MB | Display | |
Data in XML | ![]() | 198 KB | Display | |
Data in CIF | ![]() | 260.1 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related 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: 55649.500 Da / Num. of mol.: 12 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P19099, steroid 11beta-monooxygenase, corticosterone 18-monooxygenase #2: Chemical | ChemComp-HEM / #3: Chemical | ChemComp-0T3 / #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.25 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 12% PEG 4000, 0.1M Tris, pH 8.5, 0.2M Lithium sulfate, vapor diffusion, hanging drop, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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Diffraction source | Source: ![]() ![]() ![]() | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Feb 24, 2012 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Radiation wavelength | Wavelength: 0.97931 Å / Relative weight: 1 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection | Resolution: 2.71→49.19 Å / Num. all: 188505 / Num. obs: 179030 / % possible obs: 98.99 % / Redundancy: 3.6 % / Rmerge(I) obs: 0.09 / Net I/σ(I): 10.5434 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Reflection shell |
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Processing
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Refinement | Method to determine structure: ![]()
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Displacement parameters | Biso max: 125.94 Å2 / Biso mean: 66.9869 Å2 / Biso min: 28.44 Å2 | ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.71→48.89 Å
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