BMRB Entry 17598
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17598
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Title: Solution Structure of PilP from Pseudomonas aeruginosa PubMed: 22053789
Deposition date: 2011-04-22 Original release date: 2011-12-20
Authors: Howell, P. Lynne; Tammam, Stephanie; Chong, P. Andrew; Forman-Kay, Julie
Citation: Tammam, Stephanie; Sampaleanu, Liliana; Koo, Jason; Sundaram, Priyanka; Ayers, Melissa; Chong, P. Andrew; Forman-Kay, Julie; Burrows, Lori; Howell, P. Lynne. "Characterization of the PilN, PilO and PilP type IVa pilus subcomplex" Mol. Micro. 82, 1496-1514 (2011).
Assembly members:
PilP, polymer, 111 residues, 12427.167 Da.
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PilP: DLTVRQKGNKVIKPDETRVK
QFLEGFNIETFEMVGTLSNA
QGTFALVKGAGGVHRVRVGD
YLGRNDGKVVGISEGKIDVI
EIVPDGEGNWLERPRSLTLK
ERSLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 367 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 741 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PilP | 1 |
Entities:
Entity 1, PilP 111 residues - 12427.167 Da.
| 1 | ASP | LEU | THR | VAL | ARG | GLN | LYS | GLY | ASN | LYS | ||||
| 2 | VAL | ILE | LYS | PRO | ASP | GLU | THR | ARG | VAL | LYS | ||||
| 3 | GLN | PHE | LEU | GLU | GLY | PHE | ASN | ILE | GLU | THR | ||||
| 4 | PHE | GLU | MET | VAL | GLY | THR | LEU | SER | ASN | ALA | ||||
| 5 | GLN | GLY | THR | PHE | ALA | LEU | VAL | LYS | GLY | ALA | ||||
| 6 | GLY | GLY | VAL | HIS | ARG | VAL | ARG | VAL | GLY | ASP | ||||
| 7 | TYR | LEU | GLY | ARG | ASN | ASP | GLY | LYS | VAL | VAL | ||||
| 8 | GLY | ILE | SER | GLU | GLY | LYS | ILE | ASP | VAL | ILE | ||||
| 9 | GLU | ILE | VAL | PRO | ASP | GLY | GLU | GLY | ASN | TRP | ||||
| 10 | LEU | GLU | ARG | PRO | ARG | SER | LEU | THR | LEU | LYS | ||||
| 11 | GLU | ARG | SER | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 12 | HIS |
Samples:
sample_1: sodium chloride 150 mM; TRIS 20 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.15 M; pH: 7.5; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCC-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
TALOS, Cornilescu, Delaglio and Bax - geometry optimization
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAK87361 BAP24857 BAP53627 BAQ42890 BAR70506 |
| EMBL | CAW30185 CCQ86063 CDH73786 CDH80106 CDI93614 |
| GB | AAA87405 AAG08426 ABJ14425 ABR86649 AEO77634 |
| REF | NP_253728 WP_003095836 WP_003116136 WP_012077721 WP_021263517 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts