+Open data
-Basic information
Entry | Database: PDB / ID: 1r4t | ||||||
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Title | Solution structure of exoenzyme S | ||||||
Components | exoenzyme S | ||||||
Keywords | TOXIN / EXOS / PSEUDOMONAS AERUGINOSA / GAP / VIRULENCE FACTOR / SIGNAL TRANSDUCTION | ||||||
Function / homology | Function and homology information glycosyltransferase activity / nucleotidyltransferase activity / GTPase activator activity / toxin activity / extracellular region Similarity search - Function | ||||||
Biological species | Pseudomonas aeruginosa (bacteria) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Langdon, G.M. / Leitner, D. / Labudde, D. / Kuhne, R. / Schmieder, P. / Aktories, K. / Oschkinat, H.O. / Schmidt, G. | ||||||
Citation | Journal: To be Published Title: Solution structure of the N-terminal GTPase activating domain of Pseudomonas aeruginosa exoenzyme S Authors: Langdon, G.M. / Leitner, D. / Labudde, D. / Kuhne, R. / Schmieder, P. / Aktories, K. / Oschkinat, H.O. / Schmidt, G. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1r4t.cif.gz | 813.5 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1r4t.ent.gz | 701.6 KB | Display | PDB format |
PDBx/mmJSON format | 1r4t.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/r4/1r4t ftp://data.pdbj.org/pub/pdb/validation_reports/r4/1r4t | HTTPS FTP |
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-Related structure data
Similar structure data | |
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Other databases |
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 16219.230 Da / Num. of mol.: 1 / Fragment: GAP-DOMAIN (RESIDUES 96-234) Source method: isolated from a genetically manipulated source Source: (gene. exp.) Pseudomonas aeruginosa (bacteria) / Plasmid: pGEX-2T / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21-DE3 / References: UniProt: Q93SQ1 |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using standard 3D homonuclear techniques. |
-Sample preparation
Details | Contents: 0.5-1.2 mM exos [U-95% 13C; U-90% 15N]50mM phosphate buffer Solvent system: 90% H2O/10% D2O |
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Sample conditions | Ionic strength: 0.05 / pH: 7.4 / Pressure: ambient / Temperature: 298 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M | |||||||||||||||
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Radiation wavelength | Relative weight: 1 | |||||||||||||||
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 1 | ||||||||||||||||||||||||
NMR representative | Selection criteria: fewest violations,lowest energy | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with acceptable covalent geometry,structures with favorable non-bond energy Conformers calculated total number: 71 / Conformers submitted total number: 23 |