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Yorodumi- PDB-8tqn: Crystal Structure of a MES bound Substrate Binding Protein (IseP)... -
+Open data
-Basic information
Entry | Database: PDB / ID: 8tqn | ||||||
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Title | Crystal Structure of a MES bound Substrate Binding Protein (IseP) from an Isethionate TRAP Transporter | ||||||
Components | Isethionate-binding periplasmic protein DctP | ||||||
Keywords | TRANSPORT PROTEIN / TRAP Transporter / Substrate Binding Protein / Isethionate | ||||||
Function / homology | alkanesulfonate catabolic process / TRAP transporter solute receptor, DctP family / TRAP transporter solute receptor DctP / TRAP transporter solute receptor DctP superfamily / Bacterial extracellular solute-binding protein, family 7 / transmembrane transport / outer membrane-bounded periplasmic space / Isethionate-binding periplasmic protein DctP Function and homology information | ||||||
Biological species | Oleidesulfovibrio alaskensis G20 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.65 Å | ||||||
Authors | Newton-Vesty, M.C. / Dobson, R.C.J. | ||||||
Funding support | New Zealand, 1items
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Citation | Journal: To Be Published Title: Crystal structure of an isethionate substrate-binding protein (IseP) bound to isethionate Authors: Newton-Vesty, M.C. / Dobson, R.C.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8tqn.cif.gz | 138.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8tqn.ent.gz | 104.4 KB | Display | PDB format |
PDBx/mmJSON format | 8tqn.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 8tqn_validation.pdf.gz | 431.8 KB | Display | wwPDB validaton report |
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Full document | 8tqn_full_validation.pdf.gz | 432.6 KB | Display | |
Data in XML | 8tqn_validation.xml.gz | 14.7 KB | Display | |
Data in CIF | 8tqn_validation.cif.gz | 21 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/tq/8tqn ftp://data.pdbj.org/pub/pdb/validation_reports/tq/8tqn | HTTPS FTP |
-Related structure data
Related structure data | 8te9C 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
#1: Protein | Mass: 37287.664 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Oleidesulfovibrio alaskensis G20 (bacteria) Gene: dctP, Dde_1275 / Production host: Escherichia coli (E. coli) / References: UniProt: Q312S0 |
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#2: Chemical | ChemComp-MES / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | N |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.05 Å3/Da / Density % sol: 39.9 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, sitting drop Details: 0.2 M Lithium chloride, 0.1 M MES 6.0, 20 % w/v PEG 6000 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N | |||||||||||||||||||||
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Diffraction source | Source: SYNCHROTRON / Site: Australian Synchrotron / Beamline: MX2 / Wavelength: 0.95372 Å | |||||||||||||||||||||
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Nov 8, 2022 | |||||||||||||||||||||
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray | |||||||||||||||||||||
Radiation wavelength | Wavelength: 0.95372 Å / Relative weight: 1 | |||||||||||||||||||||
Reflection | Resolution: 1.65→47.773 Å / Num. obs: 37696 / % possible obs: 100 % / Redundancy: 19.1 % / CC1/2: 0.999 / Rmerge(I) obs: 0.087 / Rpim(I) all: 0.028 / Rrim(I) all: 0.092 / Net I/σ(I): 15.9 | |||||||||||||||||||||
Reflection shell | Diffraction-ID: 1
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-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 1.65→47.773 Å / Cor.coef. Fo:Fc: 0.969 / Cor.coef. Fo:Fc free: 0.953 / SU B: 3.126 / SU ML: 0.1 / Cross valid method: NONE / ESU R: 0.107 / ESU R Free: 0.108 Details: Hydrogens have been added in their riding positions
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 34.771 Å2
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Refinement step | Cycle: LAST / Resolution: 1.65→47.773 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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