BMRB Entry 18555
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18555
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Title: NMR solution structure of PA1075 from Pseudomonas Aeruginosa
Deposition date: 2012-06-29 Original release date: 2013-06-28
Authors: Sunnerhagen, Maria; Schnell, Robert; Andresen, Cecilia; Moshref, Ahmad; Schneider, Gunter
Citation: Sunnerhagen, Maria. "NMR solution structure of PA1075, an essential protein in Pseudomonas Aeruginosa" Not known ., .-..
Assembly members:
entity, polymer, 108 residues, 11629.234 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):
entity: GSHMTEQTSTLYAKLLGETA
VISWAELQPFFARGALLQVD
AALDLVEVAEALAGDDREKV
AAWLSGGGLSKVGEDAAKDF
LERDPTLWAVVVAPWVVIQE
RAEKATLH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 429 |
| 15N chemical shifts | 105 |
| 1H chemical shifts | 692 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PA1075 | 1 |
Entities:
Entity 1, PA1075 108 residues - 11629.234 Da.
| 1 | GLY | SER | HIS | MET | THR | GLU | GLN | THR | SER | THR | ||||
| 2 | LEU | TYR | ALA | LYS | LEU | LEU | GLY | GLU | THR | ALA | ||||
| 3 | VAL | ILE | SER | TRP | ALA | GLU | LEU | GLN | PRO | PHE | ||||
| 4 | PHE | ALA | ARG | GLY | ALA | LEU | LEU | GLN | VAL | ASP | ||||
| 5 | ALA | ALA | LEU | ASP | LEU | VAL | GLU | VAL | ALA | GLU | ||||
| 6 | ALA | LEU | ALA | GLY | ASP | ASP | ARG | GLU | LYS | VAL | ||||
| 7 | ALA | ALA | TRP | LEU | SER | GLY | GLY | GLY | LEU | SER | ||||
| 8 | LYS | VAL | GLY | GLU | ASP | ALA | ALA | LYS | ASP | PHE | ||||
| 9 | LEU | GLU | ARG | ASP | PRO | THR | LEU | TRP | ALA | VAL | ||||
| 10 | VAL | VAL | ALA | PRO | TRP | VAL | VAL | ILE | GLN | GLU | ||||
| 11 | ARG | ALA | GLU | LYS | ALA | THR | LEU | HIS |
Samples:
sample_1: PA1075, [U-100% 13C; U-100% 15N], 0.5-0.7 mM; TRIS 12.5 mM; sodium chloride 75 mM
sample_conditions_1: ionic strength: 165 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - data analysis
ABACUS, Lemak and Arrowsmith - chemical shift assignment, data analysis, structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
MDD, Orekhov - collection, processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts