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- PDB-1sux: CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1sux | ||||||
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Title | CRYSTALLOGRAPHIC ANALYSIS OF THE COMPLEX BETWEEN TRIOSEPHOSPHATE ISOMERASE FROM TRYPANOSOMA CRUZI AND 3-(2-benzothiazolylthio)-1-propanesulfonic acid | ||||||
![]() | Triosephosphate isomerase, glycosomal | ||||||
![]() | ISOMERASE / TRIOSEPHOSPHATE ISOMERASE / TRYPANOSOMA CRUZI / PROTEIN INTERFACES / BENZOTHIAZOLE INHIBITOR | ||||||
Function / homology | ![]() glycosome / triose-phosphate isomerase / triose-phosphate isomerase activity / glyceraldehyde-3-phosphate biosynthetic process / glycerol catabolic process / gluconeogenesis / glycolytic process / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() | ||||||
![]() | Tellez-Valencia, A. / Olivares-Illana, V. / Hernandez-Santoyo, A. / Perez-Montfort, R. / Costas, M. / Rodriguez-Romero, A. / Tuena De Gomez-Puyou, M. / Gomez-Puyou, A. | ||||||
![]() | ![]() Title: Inactivation of triosephosphate isomerase from Trypanosoma cruzi by an agent that perturbs its dimer interface. Authors: Tellez-Valencia, A. / Olivares-Illana, V. / Hernandez-Santoyo, A. / Perez-Montfort, R. / Costas, M. / Rodriguez-Romero, A. / Lopez-Calahorra, F. / Tuena De Gomez-Puyou, M. / Gomez-Puyou, A. #1: ![]() Title: Differences in the intersubunit contacts in triosephosphate isomerase from two closely related pathogenic trypanosomes Authors: Maldonado, E. / Soriano-Garcia, M. / Moreno, A. / Cabrera, N. / Garza-Ramos, G. / De Gomez-Puyou, M. / Gomez-Puyou, A. / Perez-Montfort, R. #2: ![]() Title: Crystal structure of triosephosphate isomerase from Trypanosoma cruzi in hexane Authors: Gao, X.G. / Maldonado, E. / Perez-Monfort, R. / Garza-Ramos, G. / De Gomez-Puyou, M.T. / Gomez-Puyou, A. / Rodriguez-Romero, A. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 115.8 KB | Display | ![]() |
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PDB format | ![]() | 89.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1tcdS 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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Unit cell |
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Components
#1: Protein | Mass: 27360.438 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-SO4 / #3: Chemical | ChemComp-BTS / | #4: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.18 Å3/Da / Density % sol: 43.6 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: PEG 400, HEPES, ammonium sulfate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 113 K |
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Diffraction source | Source: ![]() |
Detector | Type: RIGAKU RAXIS II / Detector: IMAGE PLATE / Date: May 21, 2002 / Details: mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.54 Å / Relative weight: 1 |
Reflection | Resolution: 2→25 Å / Num. obs: 31622 / Observed criterion σ(F): 2 / Observed criterion σ(I): 2 / Redundancy: 2.5 % / Biso Wilson estimate: 22.7 Å2 / Rsym value: 0.04 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1TCD Resolution: 2→23.03 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 1724206.77 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / Cross valid method: THROUGHOUT / σ(F): 0 Details: FIVE DISCRETELY DISORDERED RESIDUES: GLU 19, GLU 27, LYS 53, SER 97 OF MONOMER A AND SER 2 0F MONOMER B. RESIDUE MET 1 OF BOTH CHAINS AND SIDE CHAINS FROM CG OF RESIDUES LYS A 157, LYS A ...Details: FIVE DISCRETELY DISORDERED RESIDUES: GLU 19, GLU 27, LYS 53, SER 97 OF MONOMER A AND SER 2 0F MONOMER B. RESIDUE MET 1 OF BOTH CHAINS AND SIDE CHAINS FROM CG OF RESIDUES LYS A 157, LYS A 177, GLN A 182 AND LYS B 218 HAVE WEAK ELECTRON DENSITY AND ARE NOT INCLUDED IN THE MODEL.
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 59.7691 Å2 / ksol: 0.402909 e/Å3 | ||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 19.5 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2→23.03 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.13 Å / Rfactor Rfree error: 0.01 / Total num. of bins used: 6
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Xplor file |
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