+Open data
-Basic information
Entry | Database: PDB / ID: 1aog | ||||||
---|---|---|---|---|---|---|---|
Title | TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE (OXIDIZED FORM) | ||||||
Components | TRYPANOTHIONE REDUCTASE | ||||||
Keywords | OXIDOREDUCTASE / TRYPANOTHIONE REDUCTASE / FAD DEPENDENT DISULPHIDE OXIDOREDUCTASE | ||||||
Function / homology | Function and homology information trypanothione-disulfide reductase / trypanothione-disulfide reductase (NADPH) activity / cell redox homeostasis / flavin adenine dinucleotide binding / cytoplasm Similarity search - Function | ||||||
Biological species | Trypanosoma cruzi (eukaryote) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||
Authors | Bond, C.S. / Zhang, Y. / Hunter, W.N. | ||||||
Citation | Journal: Protein Sci. / Year: 1996 Title: The crystal structure of trypanothione reductase from the human pathogen Trypanosoma cruzi at 2.3 A resolution. Authors: Zhang, Y. / Bond, C.S. / Bailey, S. / Cunningham, M.L. / Fairlamb, A.H. / Hunter, W.N. #1: Journal: Eur.J.Biochem. / Year: 1995 Title: Site-Directed Mutagenesis of the Redox-Active Cysteines of Trypanosoma Cruzi Trypanothione Reductase Authors: Borges, A. / Cunningham, M.L. / Tovar, J. / Fairlamb, A.H. #2: Journal: J.Mol.Biol. / Year: 1993 Title: Trypanosoma Cruzi Trypanothione Reductase Crystallisation, Unit Cell Dimensions and Structure Solution Authors: Zhang, Y. / Bailey, S. / Naismith, J.H. / Bond, C.S. / Habash, J. / Mclaughlin, P. / Papiz, M.Z. / Borges, A. / Cunningham, M.L. / Fairlamb, A.H. / Hunter, W.N. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1aog.cif.gz | 203.9 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1aog.ent.gz | 165.3 KB | Display | PDB format |
PDBx/mmJSON format | 1aog.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ao/1aog ftp://data.pdbj.org/pub/pdb/validation_reports/ao/1aog | HTTPS FTP |
---|
-Related structure data
Related structure data | 1tytS S: Starting model for refinement |
---|---|
Similar structure data |
-Links
-Assembly
Deposited unit |
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-Components
#1: Protein | Mass: 53175.773 Da / Num. of mol.: 2 / Source method: isolated from a natural source / Source: (natural) Trypanosoma cruzi (eukaryote) / Strain: BRAZILIAN SILVIO STRAIN CLONE X10/1 / References: UniProt: P28593, EC: 1.6.4.8 #2: Chemical | #3: Chemical | #4: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 7 |
---|
-Sample preparation
Crystal | Density Matthews: 3.17 Å3/Da / Density % sol: 61.21 % | |||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | pH: 6 / Details: pH 6.0 | |||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 6-8 ℃ / Method: vapor diffusion, hanging drop | |||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 293 K |
---|---|
Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 |
Detector | Type: RIGAKU RAXIS / Detector: IMAGE PLATE / Date: Mar 1, 1991 |
Radiation | Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→20 Å / Num. obs: 55392 / % possible obs: 94.1 % / Observed criterion σ(I): 1 / Redundancy: 3.1 % / Rmerge(I) obs: 0.109 |
Reflection | *PLUS Num. measured all: 170106 |
Reflection shell | *PLUS Highest resolution: 2.3 Å / Lowest resolution: 2.4 Å / % possible obs: 80 % |
-Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 1TYT Resolution: 2.3→8 Å / σ(F): 1
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.4 Å2 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→8 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Software | *PLUS Name: X-PLOR / Version: 3.1 / Classification: refinement | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints | *PLUS
|