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Yorodumi- PDB-8fdb: CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanel... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8fdb | |||||||||
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Title | CRYSTAL STRUCTURE OF NAGB-II PHOSPHOSUGAR ISOMERASE FROM Shewanella denitrificans OS217 IN COMPLEX WITH GLUCITOLAMINE-6-PHOSPHATE AT 3.06 A RESOLUTION. | |||||||||
Components | (Glutamine-fructose-6-phosphate transaminase ...) x 2 | |||||||||
Keywords | ISOMERASE / Deaminase Isomerization-deamination Amino-sugar metabolism Positive cooperativity and allosteric activation Sugar-isomerase domain | |||||||||
Function / homology | Function and homology information glutamine-fructose-6-phosphate transaminase (isomerizing) / glutamine-fructose-6-phosphate transaminase (isomerizing) activity / carbohydrate derivative metabolic process / carbohydrate derivative binding / cytoplasm Similarity search - Function | |||||||||
Biological species | Shewanella denitrificans OS217 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 3.06 Å | |||||||||
Authors | Rodriguez-Romero, A. / Rodriguez-Hernandez, A. / Marcos-Viquez, J. / Bustos-Jaimes, I. | |||||||||
Funding support | Mexico, 2items
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Citation | Journal: Protein Sci. / Year: 2023 Title: Substrate binding in the allosteric site mimics homotropic cooperativity in the SIS-fold glucosamine-6-phosphate deaminases. Authors: Marcos-Viquez, J. / Rodriguez-Hernandez, A. / Alvarez-Anorve, L.I. / Medina-Garcia, A. / Plumbridge, J. / Calcagno, M.L. / Rodriguez-Romero, A. / Bustos-Jaimes, I. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8fdb.cif.gz | 133 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8fdb.ent.gz | 105.2 KB | Display | PDB format |
PDBx/mmJSON format | 8fdb.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fd/8fdb ftp://data.pdbj.org/pub/pdb/validation_reports/fd/8fdb | HTTPS FTP |
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-Related structure data
Related structure data | 8eolC 8eymC C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
-Glutamine-fructose-6-phosphate transaminase ... , 2 types, 2 molecules AB
#1: Protein | Mass: 35476.961 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Shewanella denitrificans OS217 (bacteria) Strain: OS217 / ATCC BAA-1090 / DSM 15013 / Gene: Sden_2705 / Plasmid: PET24B / Production host: Escherichia coli (E. coli) / References: UniProt: Q12KP2 |
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#2: Protein | Mass: 35519.961 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Shewanella denitrificans OS217 (bacteria) Gene: Sden_2705 / Plasmid: PET24B / Production host: Escherichia coli (E. coli) / References: UniProt: Q12KP2 |
-Non-polymers , 4 types, 24 molecules
#3: Chemical | ChemComp-AGP / #4: Chemical | #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Details
Has ligand of interest | Y |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.45 Å3/Da / Density % sol: 49.86 % / Description: Bypyramidal plates |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, sitting drop / pH: 8.5 Details: 50mM Tris-HCl, pH 8.5, with 1mM 2-deoxi-2-amino glucitol 6-phosphate (GlcNol6P) |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5419 Å |
Detector | Type: DECTRIS PILATUS 200K / Detector: PIXEL / Date: Sep 17, 2018 / Details: Mirrors |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5419 Å / Relative weight: 1 |
Reflection | Resolution: 3→49.48 Å / Num. obs: 14320 / % possible obs: 99.7 % / Redundancy: 5 % / Biso Wilson estimate: 45.49 Å2 / CC1/2: 0.794 / Rmerge(I) obs: 0.165 / Net I/σ(I): 9.8 |
Reflection shell | Resolution: 3.06→3.27 Å / Redundancy: 3.2 % / Rmerge(I) obs: 0.389 / Mean I/σ(I) obs: 3 / Num. unique obs: 2383 / CC1/2: 0.89 / Rpim(I) all: 0.25 / Χ2: 0.82 / % possible all: 99.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: BALBES Resolution: 3.06→34.95 Å / SU ML: 0.35 / Cross valid method: THROUGHOUT / σ(F): 1.34 / Phase error: 24.16 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.06→34.95 Å
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Refine LS restraints |
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LS refinement shell |
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