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Yorodumi- PDB-1rr6: Structure of human purine nucleoside phosphorylase in complex wit... -
+Open data
-Basic information
Entry | Database: PDB / ID: 1rr6 | |||||||||
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Title | Structure of human purine nucleoside phosphorylase in complex with Immucillin-H and phosphate | |||||||||
Components | Purine nucleoside phosphorylase | |||||||||
Keywords | TRANSFERASE / PNP / transition state analogue | |||||||||
Function / homology | Function and homology information nicotinamide riboside catabolic process / Defective PNP disrupts phosphorolysis of (deoxy)guanosine and (deoxy)inosine / purine-containing compound salvage / deoxyinosine catabolic process / purine nucleobase binding / inosine catabolic process / deoxyadenosine catabolic process / nucleotide biosynthetic process / dAMP catabolic process / urate biosynthetic process ...nicotinamide riboside catabolic process / Defective PNP disrupts phosphorolysis of (deoxy)guanosine and (deoxy)inosine / purine-containing compound salvage / deoxyinosine catabolic process / purine nucleobase binding / inosine catabolic process / deoxyadenosine catabolic process / nucleotide biosynthetic process / dAMP catabolic process / urate biosynthetic process / Ribavirin ADME / IMP catabolic process / nucleoside binding / guanosine phosphorylase activity / Purine catabolism / allantoin metabolic process / Purine salvage / purine-nucleoside phosphorylase / nucleobase-containing compound metabolic process / purine ribonucleoside salvage / purine-nucleoside phosphorylase activity / positive regulation of alpha-beta T cell differentiation / phosphate ion binding / positive regulation of T cell proliferation / positive regulation of interleukin-2 production / secretory granule lumen / ficolin-1-rich granule lumen / response to xenobiotic stimulus / immune response / Neutrophil degranulation / extracellular exosome / extracellular region / identical protein binding / cytoplasm / cytosol Similarity search - Function | |||||||||
Biological species | Homo sapiens (human) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / FOURIER SYNTHESIS / Resolution: 2.5 Å | |||||||||
Authors | Shi, W. / Lewandowicz, A. / Tyler, P.C. / Furneaux, R.H. / Almo, S.C. / Schramm, V.L. | |||||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: Plasmodium falciparum purine nucleoside phosphorylase: crystal structures, immucillin inhibitors, and dual catalytic function. Authors: Shi, W. / Ting, L.M. / Kicska, G.A. / Lewandowicz, A. / Tyler, P.C. / Evans, G.B. / Furneaux, R.H. / Kim, K. / Almo, S.C. / Schramm, V.L. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1rr6.cif.gz | 70 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1rr6.ent.gz | 51 KB | Display | PDB format |
PDBx/mmJSON format | 1rr6.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1rr6_validation.pdf.gz | 796.9 KB | Display | wwPDB validaton report |
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Full document | 1rr6_full_validation.pdf.gz | 803.1 KB | Display | |
Data in XML | 1rr6_validation.xml.gz | 13.4 KB | Display | |
Data in CIF | 1rr6_validation.cif.gz | 17.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/rr/1rr6 ftp://data.pdbj.org/pub/pdb/validation_reports/rr/1rr6 | HTTPS FTP |
-Related structure data
Related structure data | 1nw4C 1q1gC 1rszS S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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Details | The biological assembly is a trimer generated from the monomer in the asymmetric unit by the crystallographic 3-fold. |
-Components
#1: Protein | Mass: 32184.877 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: NP, PNP / Production host: Escherichia coli (E. coli) References: UniProt: P00491, purine-nucleoside phosphorylase | ||||
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#2: Chemical | #3: Chemical | ChemComp-IMH / | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 5 Details: 1.8 M ammonium dihydrogen phosphate. 100 mM sodium citrate, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: NSLS / Beamline: X9A / Wavelength: 0.98 Å |
Detector | Type: MARRESEARCH / Detector: CCD / Date: Oct 29, 2002 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→20 Å / Num. all: 20670 / Num. obs: 20670 / % possible obs: 91 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 8.6 % / Biso Wilson estimate: 48.9 Å2 / Rsym value: 0.046 / Net I/σ(I): 27.9 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 6.1 % / Mean I/σ(I) obs: 3.6 / Num. unique all: 2107 / Rsym value: 0.332 / % possible all: 93.9 |
-Processing
Software |
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Refinement | Method to determine structure: FOURIER SYNTHESIS Starting model: 1RSZ Resolution: 2.5→20 Å / Rfactor Rfree error: 0.007 / Cross valid method: THROUGHOUT / σ(F): 2 / Stereochemistry target values: Engh & Huber
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Displacement parameters | Biso mean: 57.4 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.5→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.5→2.66 Å / Rfactor Rfree error: 0.024 / Total num. of bins used: 6
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