+Open data
-Basic information
Entry | Database: PDB / ID: 1q5f | ||||||
---|---|---|---|---|---|---|---|
Title | NMR Structure of Type IVb pilin (PilS) from Salmonella typhi | ||||||
Components | PilS | ||||||
Keywords | CELL ADHESION / TYPE IVb PILIN / ALPHA-BETA ROLL / MONOMER | ||||||
Function / homology | Type 4 secretion system, PilS, N-terminal / PilS N terminal / TcpA-like pilin / TcpA-like pilin / membrane => GO:0016020 / 2-Layer Sandwich / Alpha Beta / PilS Function and homology information | ||||||
Biological species | Salmonella typhi (bacteria) | ||||||
Method | SOLUTION NMR / distance geometry, simulated annealing | ||||||
Authors | Xu, X.F. / Tan, Y.W. / Hackett, J. / Zhang, M. / Mok, Y.K. | ||||||
Citation | Journal: J.Biol.Chem. / Year: 2004 Title: NMR Structure of a Type IVb Pilin from Salmonella typhi and Its Assembly into Pilus Authors: Xu, X.F. / Tan, Y.W. / Lam, L. / Hackett, J. / Zhang, M. / Mok, Y.K. | ||||||
History |
|
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
---|
-Downloads & links
-Download
PDBx/mmCIF format | 1q5f.cif.gz | 399.8 KB | Display | PDBx/mmCIF format |
---|---|---|---|---|
PDB format | pdb1q5f.ent.gz | 343.6 KB | Display | PDB format |
PDBx/mmJSON format | 1q5f.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1q5f_validation.pdf.gz | 355.4 KB | Display | wwPDB validaton report |
---|---|---|---|---|
Full document | 1q5f_full_validation.pdf.gz | 426.4 KB | Display | |
Data in XML | 1q5f_validation.xml.gz | 29.6 KB | Display | |
Data in CIF | 1q5f_validation.cif.gz | 40.8 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/q5/1q5f ftp://data.pdbj.org/pub/pdb/validation_reports/q5/1q5f | HTTPS FTP |
-Related structure data
Similar structure data | |
---|---|
Other databases |
-Links
-Assembly
Deposited unit |
| |||||||||
---|---|---|---|---|---|---|---|---|---|---|
1 |
| |||||||||
NMR ensembles |
|
-Components
#1: Protein | Mass: 15842.432 Da / Num. of mol.: 1 / Fragment: RESIDUES 26-181 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salmonella typhi (bacteria) / Gene: PilS / Plasmid: pET-H / Species (production host): Escherichia coli / Production host: Escherichia coli BL21(DE3) (bacteria) / Strain (production host): BL21(DE3) / References: UniProt: Q9ZIU9 |
---|
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NMR experiment |
| ||||||||||||||||||||
NMR details | Text: The structures are based on a total of 2315 restraints, 2033 are NOE-derived distance constraints, 206 dihedral angle restraints, 76 distance restraints from hydrogen bonds. |
-Sample preparation
Details |
| |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sample conditions | Ionic strength: 0.55 / pH: 6.0 / Pressure: ambient / Temperature: 303 K |
-NMR measurement
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M | |||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Radiation wavelength | Relative weight: 1 | |||||||||||||||
NMR spectrometer |
|
-Processing
NMR software |
| ||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method: distance geometry, simulated annealing / Software ordinal: 1 | ||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 10 |