+Open data
-Basic information
Entry | Database: PDB / ID: 3qz1 | ||||||
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Title | Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21) | ||||||
Components | Steroid 21-hydroxylase | ||||||
Keywords | OXIDOREDUCTASE / P450 monooxygenase / 21-hydroxylase | ||||||
Function / homology | Function and homology information steroid 21-monooxygenase / steroid 21-monooxygenase activity / glucocorticoid biosynthetic process / steroid biosynthetic process / steroid metabolic process / steroid hydroxylase activity / steroid binding / iron ion binding / heme binding / endoplasmic reticulum membrane Similarity search - Function | ||||||
Biological species | Bos taurus (cattle) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / Resolution: 3 Å | ||||||
Authors | Zhao, B. / Waterman, M.R. | ||||||
Citation | Journal: To be Published Title: Crystal Structure of Bovine Steroid of 21-hydroxylase (P450c21) Authors: Zhao, B. / Lei, L. / Sundaramoorthy, M. / Kagawa, N. / Waterman, M.R. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3qz1.cif.gz | 371.2 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3qz1.ent.gz | 303.5 KB | Display | PDB format |
PDBx/mmJSON format | 3qz1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3qz1_validation.pdf.gz | 3.5 MB | Display | wwPDB validaton report |
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Full document | 3qz1_full_validation.pdf.gz | 3.8 MB | Display | |
Data in XML | 3qz1_validation.xml.gz | 103.3 KB | Display | |
Data in CIF | 3qz1_validation.cif.gz | 131.3 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/qz/3qz1 ftp://data.pdbj.org/pub/pdb/validation_reports/qz/3qz1 | HTTPS FTP |
-Related structure data
Similar structure data |
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-Links
-Assembly
Deposited unit |
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Unit cell |
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-Components
#1: Protein | Mass: 56160.270 Da / Num. of mol.: 4 / Mutation: T241R, L442A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bos taurus (cattle) / Gene: CYP21, CYP21A1 / Plasmid: pCWori / Production host: Escherichia coli (E. coli) / Strain (production host): DH5[alpha] / References: UniProt: P00191, EC: 1.14.99.10 #2: Chemical | ChemComp-HEM / #3: Chemical | ChemComp-3QZ / ( #4: Water | ChemComp-HOH / | Nonpolymer details | THE LIGAND 3QZ IN THE STRUCTURE IS 17-HYDROXYPROGESTERONE, WHICH IS VERY HYDROPHOBIC AND ITS ...THE LIGAND 3QZ IN THE STRUCTURE IS 17-HYDROXYPRO | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 2 |
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-Sample preparation
Crystal | Density Matthews: 2.83 Å3/Da / Density % sol: 56.57 % |
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Crystal grow | Temperature: 295 K / Method: vapor diffusion, hanging drop / pH: 7.4 Details: PEG 3350, Tacsimate, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
-Data collection
Diffraction |
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Diffraction source |
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Detector |
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Radiation |
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Radiation wavelength |
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Reflection twin | Operator: -h,k,-l / Fraction: 0.5 | ||||||||||||||||||
Reflection | Resolution: 3→50 Å / Num. all: 49955 / Num. obs: 47687 / % possible obs: 95 % / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Rmerge(I) obs: 0.092 / Rsym value: 0.065 / Net I/σ(I): 4.5 | ||||||||||||||||||
Reflection shell | Resolution: 3→3.03 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.539 / Mean I/σ(I) obs: 1.21 / Rsym value: 0.672 / % possible all: 91.9 |
-Processing
Software |
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Refinement | Resolution: 3→30 Å / Occupancy max: 1 / Occupancy min: 0.5 / σ(F): 1541
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Solvent computation | Bsol: 139.685 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 323.81 Å2 / Biso mean: 119.1571 Å2 / Biso min: 51.25 Å2
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Refine analyze | Luzzati coordinate error obs: 0.54 Å / Luzzati d res low obs: 5 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3→30 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 10
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