BMRB Entry 15246
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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/BMR15246
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Title: chemical shift assignments of PA4090 from Pseudomonas aeruginosa
Deposition date: 2007-05-13 Original release date: 2009-10-09
Authors: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Li, Shawn; Choy, Wing-Yiu
Citation: Ai, Xuanjun; Semesi, Anthony; Yee, Adelinda; Arrowsmith, Cheryl; Choy, Wing-Yiu; Li, Shawn. "chemical shift assignments of PA4090 from Pseudomonas aeruginosa" Proteins: Struct. Funct. Genet. ., .-..
Assembly members:
PA4090, polymer, 118 residues, 11021.414 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):
PA4090: MGTSHHHHHHSSGRENLYFQ
GHMFRSTSHVRTESAARYVN
RLCKHWGHKFEVELTPERGF
IDFGDSNCELLAHPDHVLMI
LNSPDEDSLAHMQNVVADHL
QRMANSESLEIAWQPAES
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 363 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 496 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PA4090 | 1 |
Entities:
Entity 1, PA4090 118 residues - 11021.414 Da.
| 1 | MET | GLY | THR | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ARG | GLU | ASN | LEU | TYR | PHE | GLN | ||||
| 3 | GLY | HIS | MET | PHE | ARG | SER | THR | SER | HIS | VAL | ||||
| 4 | ARG | THR | GLU | SER | ALA | ALA | ARG | TYR | VAL | ASN | ||||
| 5 | ARG | LEU | CYS | LYS | HIS | TRP | GLY | HIS | LYS | PHE | ||||
| 6 | GLU | VAL | GLU | LEU | THR | PRO | GLU | ARG | GLY | PHE | ||||
| 7 | ILE | ASP | PHE | GLY | ASP | SER | ASN | CYS | GLU | LEU | ||||
| 8 | LEU | ALA | HIS | PRO | ASP | HIS | VAL | LEU | MET | ILE | ||||
| 9 | LEU | ASN | SER | PRO | ASP | GLU | ASP | SER | LEU | ALA | ||||
| 10 | HIS | MET | GLN | ASN | VAL | VAL | ALA | ASP | HIS | LEU | ||||
| 11 | GLN | ARG | MET | ALA | ASN | SER | GLU | SER | LEU | GLU | ||||
| 12 | ILE | ALA | TRP | GLN | PRO | ALA | GLU | SER |
Samples:
sample_1: entity, [U-99% 13C; U-99% 15N], 1.0 mM; MOPS 10 mM; NaCl 450 mM; Zn2+ 10 uM; DTT 10 mM; NaN3 0.01%; inhibitor mixture 1x w/v; benzamidine 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 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:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAK92112 BAP19994 BAP48856 BAQ37677 BAR65783 |
| EMBL | CAW25613 CCQ83823 CDH69171 CDH75295 CDI92571 |
| GB | AAG07477 AAT49433 ABJ13362 AEO73337 AFM63068 |
| REF | NP_252779 WP_003093387 WP_023085627 WP_024915557 WP_033936217 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts