+Open data
-Basic information
Entry | Database: PDB / ID: 8k16 | ||||||
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Title | KtrA bound with ATP and thallium | ||||||
Components | Ktr system potassium uptake protein A | ||||||
Keywords | METAL TRANSPORT / potassium channel RCK domain | ||||||
Function / homology | Function and homology information monoatomic cation transmembrane transporter activity / potassium ion transport / identical protein binding / plasma membrane Similarity search - Function | ||||||
Biological species | Bacillus subtilis (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 3.1 Å | ||||||
Authors | Chiang, W.T. / Chang, Y.K. / Hu, N.J. / Tsai, M.D. | ||||||
Funding support | Taiwan, 1items
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Citation | Journal: Nat Commun / Year: 2024 Title: Structural basis and synergism of ATP and Na+ activation in bacterial K+ uptake system KtrAB Authors: Chiang, W.T. / Chang, Y.K. / Hui, W.H. / Chang, S.W. / Liao, C.Y. / Chang, Y.C. / Chen, C.J. / Wang, W.C. / Lai, C.C. / Wang, C.H. / Luo, S.Y. / Huang, Y.P. / Chou, S.H. / Horng, T.L. / Hou, ...Authors: Chiang, W.T. / Chang, Y.K. / Hui, W.H. / Chang, S.W. / Liao, C.Y. / Chang, Y.C. / Chen, C.J. / Wang, W.C. / Lai, C.C. / Wang, C.H. / Luo, S.Y. / Huang, Y.P. / Chou, S.H. / Horng, T.L. / Hou, M.H. / Muench, S.P. / Chen, R.S. / Tsai, M.D. / Hu, N.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 8k16.cif.gz | 224.4 KB | Display | PDBx/mmCIF format |
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PDB format | pdb8k16.ent.gz | 152.6 KB | Display | PDB format |
PDBx/mmJSON format | 8k16.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/k1/8k16 ftp://data.pdbj.org/pub/pdb/validation_reports/k1/8k16 | HTTPS FTP |
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-Related structure data
Related structure data | 8k1kC 8k1sC 8k1tC 8k1uC 8xmhC 8xmiC 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: 24916.760 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Bacillus subtilis (bacteria) / Gene: ktrA, yuaA, BSU31090 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: O32080 #2: Chemical | #3: Chemical | ChemComp-TL / | 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: 3.15 Å3/Da / Density % sol: 60.98 % |
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Crystal grow | Temperature: 293.15 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 100 mM HEPES-KOH pH 7.5, 3% PEG 6000, 2.5% 2-methyl-2,4-pentanediol, 5 mM Thallium(I) acetate |
-Data collection
Diffraction | Mean temperature: 80 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: NSRRC / Beamline: TPS 05A / Wavelength: 1 Å |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: May 22, 2022 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 3.1→24.01 Å / Num. obs: 22017 / % possible obs: 99.71 % / Redundancy: 15.2 % / Biso Wilson estimate: 101.12 Å2 / Rpim(I) all: 0.01 / Rrim(I) all: 0.04 / Net I/σ(I): 55.87 |
Reflection shell | Resolution: 3.1→3.16 Å / Mean I/σ(I) obs: 5.57 / Num. unique obs: 1134 / CC1/2: 0.97 / CC star: 0.992 / Rpim(I) all: 0.123 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 3.1→24.01 Å / SU ML: 0.4629 / Cross valid method: FREE R-VALUE / σ(F): 1.35 / Phase error: 33.5757 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.1 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 110.86 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.1→24.01 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: -17.972308756 Å / Origin y: 33.4867164416 Å / Origin z: -34.0711319934 Å
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Refinement TLS group | Selection details: all |