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Yorodumi- PDB-7sps: Crystal structure of human glucose transporter GLUT3 bound with e... -
+Open data
-Basic information
Entry | Database: PDB / ID: 7sps | ||||||||||||
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Title | Crystal structure of human glucose transporter GLUT3 bound with exofacial inhibitor SA47 | ||||||||||||
Components | Solute carrier family 2, facilitated glucose transporter member 3 | ||||||||||||
Keywords | TRANSPORT PROTEIN/INHIBITOR / MFS / hexose transporter / inhibitor / TRANSPORT PROTEIN-INHIBITOR complex | ||||||||||||
Function / homology | Function and homology information galactose transmembrane transporter activity / dehydroascorbic acid transmembrane transporter activity / dehydroascorbic acid transport / galactose transmembrane transport / glucose transmembrane transporter activity / D-glucose transmembrane transporter activity / Vitamin C (ascorbate) metabolism / L-ascorbic acid metabolic process / Cellular hexose transport / glucose import across plasma membrane ...galactose transmembrane transporter activity / dehydroascorbic acid transmembrane transporter activity / dehydroascorbic acid transport / galactose transmembrane transport / glucose transmembrane transporter activity / D-glucose transmembrane transporter activity / Vitamin C (ascorbate) metabolism / L-ascorbic acid metabolic process / Cellular hexose transport / glucose import across plasma membrane / glucose transmembrane transport / glucose binding / aggresome / glucose import / tertiary granule membrane / transport across blood-brain barrier / ficolin-1-rich granule membrane / specific granule membrane / MECP2 regulates neuronal receptors and channels / secretory granule membrane / cell projection / perikaryon / carbohydrate metabolic process / Neutrophil degranulation / extracellular exosome / membrane / plasma membrane Similarity search - Function | ||||||||||||
Biological species | Homo sapiens (human) | ||||||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.3 Å | ||||||||||||
Authors | Wang, N. / Jiang, X. / Yan, N. | ||||||||||||
Funding support | China, 3items
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Citation | Journal: Nat Commun / Year: 2022 Title: Molecular basis for inhibiting human glucose transporters by exofacial inhibitors. Authors: Wang, N. / Zhang, S. / Yuan, Y. / Xu, H. / Defossa, E. / Matter, H. / Besenius, M. / Derdau, V. / Dreyer, M. / Halland, N. / He, K.H. / Petry, S. / Podeschwa, M. / Tennagels, N. / Jiang, X. / Yan, N. | ||||||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 7sps.cif.gz | 200.9 KB | Display | PDBx/mmCIF format |
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PDB format | pdb7sps.ent.gz | 159.9 KB | Display | PDB format |
PDBx/mmJSON format | 7sps.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/sp/7sps ftp://data.pdbj.org/pub/pdb/validation_reports/sp/7sps | HTTPS FTP |
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-Related structure data
Related structure data | 7sptC 4zw9S S: Starting model for refinement 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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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 56907.918 Da / Num. of mol.: 2 / Mutation: N43T Source method: isolated from a genetically manipulated source Source: (gene. exp.) Homo sapiens (human) / Gene: SLC2A3, GLUT3 / Production host: Spodoptera frugiperda (fall armyworm) / References: UniProt: P11169 #2: Chemical | #3: Chemical | ChemComp-OLC / ( #4: Water | ChemComp-HOH / | 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: 3.77 Å3/Da / Density % sol: 67.42 % |
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Crystal grow | Temperature: 293 K / Method: lipidic cubic phase Details: 40% v/v PEG400, 100 mM sodium citrate, pH 5.7, 400 mM potassium formate |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL32XU / Wavelength: 1 Å |
Detector | Type: DECTRIS EIGER X 9M / Detector: PIXEL / Date: Oct 30, 2019 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. obs: 75008 / % possible obs: 99.9 % / Redundancy: 23.07 % / CC1/2: 0.998 / Net I/σ(I): 11.75 |
Reflection shell | Resolution: 2.3→2.4 Å / Num. unique obs: 8977 / CC1/2: 0.536 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 4ZW9 Resolution: 2.3→46.39 Å / SU ML: 0.3 / Cross valid method: THROUGHOUT / σ(F): 0.8 / Phase error: 25.55 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso max: 159.41 Å2 / Biso mean: 54.6828 Å2 / Biso min: 26.9 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: final / Resolution: 2.3→46.39 Å
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Rfactor Rfree error: 0 / Total num. of bins used: 30
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