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Open data
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Basic information
Entry | Database: PDB / ID: 1cjb | ||||||
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Title | MALARIAL PURINE PHOSPHORIBOSYLTRANSFERASE | ||||||
![]() | PROTEIN (HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE) | ||||||
![]() | TRANSFERASE / MALARIA / PURINE SALVAGE / PHOSPHORIBOSYLTRANSFERASE / TRANSITION STATE INHIBITOR | ||||||
Function / homology | ![]() xanthine phosphoribosyltransferase / xanthine phosphoribosyltransferase activity / XMP salvage / hypoxanthine phosphoribosyltransferase / guanine salvage / hypoxanthine metabolic process / guanine phosphoribosyltransferase activity / hypoxanthine phosphoribosyltransferase activity / GMP salvage / IMP salvage ...xanthine phosphoribosyltransferase / xanthine phosphoribosyltransferase activity / XMP salvage / hypoxanthine phosphoribosyltransferase / guanine salvage / hypoxanthine metabolic process / guanine phosphoribosyltransferase activity / hypoxanthine phosphoribosyltransferase activity / GMP salvage / IMP salvage / purine ribonucleoside salvage / nucleotide binding / magnesium ion binding / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shi, W. / Li, C.M. / Tyler, P.C. / Furneaux, R.H. / Cahill, S.M. / Girvin, M.E. / Grubmeyer, C. / Schramm, V.L. / Almo, S.C. | ||||||
![]() | ![]() Title: The 2.0 A structure of malarial purine phosphoribosyltransferase in complex with a transition-state analogue inhibitor. Authors: Shi, W. / Li, C.M. / Tyler, P.C. / Furneaux, R.H. / Cahill, S.M. / Girvin, M.E. / Grubmeyer, C. / Schramm, V.L. / Almo, S.C. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 203.7 KB | Display | ![]() |
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PDB format | ![]() | 162.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 605.2 KB | Display | ![]() |
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Full document | ![]() | 638 KB | Display | |
Data in XML | ![]() | 24.3 KB | Display | |
Data in CIF | ![]() | 35.3 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1bzyS 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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2 | ![]()
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Unit cell |
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Noncrystallographic symmetry (NCS) | NCS oper:
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Components
#1: Protein | Mass: 26386.457 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Production host: ![]() ![]() References: UniProt: P20035, hypoxanthine phosphoribosyltransferase #2: Chemical | ChemComp-MG / #3: Chemical | ChemComp-IRP / ( #4: Chemical | ChemComp-POP / #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.2 Å3/Da / Density % sol: 43 % | ||||||||||||||||||||
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Crystal grow | pH: 7.5 / Details: pH 7.5 | ||||||||||||||||||||
Crystal grow | *PLUS Temperature: 18 ℃ / Method: vapor diffusion, hanging drop | ||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2→20 Å / Num. obs: 67609 / % possible obs: 99.1 % / Redundancy: 4.2 % / Rsym value: 0.048 / Net I/σ(I): 45 |
Reflection shell | Resolution: 2→2.07 Å / Mean I/σ(I) obs: 32 / Rsym value: 0.1 / % possible all: 98.4 |
Reflection | *PLUS Num. measured all: 286410 / Rmerge(I) obs: 0.048 |
Reflection shell | *PLUS Highest resolution: 2 Å / Rmerge(I) obs: 0.1 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 1BZY Resolution: 2→20 Å / Cross valid method: THROUGHOUT / σ(F): 2
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Displacement parameters |
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Refinement step | Cycle: LAST / Resolution: 2→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2→2.09 Å / Total num. of bins used: 8
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Software | *PLUS Name: ![]() | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement | *PLUS Lowest resolution: 20 Å / σ(F): 2 / % reflection Rfree: 5 % / Rfactor obs: 0.196 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | *PLUS | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | *PLUS Rfactor Rfree: 0.279 / % reflection Rfree: 5 % / Rfactor Rwork: 0.266 |