BMRB Entry 30604
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30604
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Title: Solution NMR structure of a quiet outer membrane protein G Nanopore (OmpG mutant: Delta-L6-D215) PubMed: 30990011
Deposition date: 2019-04-26 Original release date: 2019-05-31
Authors: Sanganna Gari, R.; Seelheim, P.; Liang, B.; Tamm, L.
Citation: Sanganna Gari, R.; Seelheim, P.; Liang, B.; Tamm, L.. "Quiet Outer Membrane Protein G (OmpG) Nanopore for Biosensing." ACS Sens. 4, 1230-1235 (2019).
Assembly members:
entity_1, polymer, 271 residues, 31502.029 Da.
Natural source: Common Name: E. coli Taxonomy ID: 83333 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli K-12
Entity Sequences (FASTA):
entity_1: EERNDWHFNIGAMYEIENVE
GYGEDMDGLAEPSVYFNAAN
GPWRIALAYYQEGPVDYSAG
KRGTWFDRPELEVHYQFLEN
DDFSFGLTGGFRNYGYHYVD
EPGKDTANMQRWKIAPDWDV
KLTDDLRFNGWLSMYKFAND
LNTTGYADTRVETETGLQYT
FNETVALRVNYYLERGFNMD
DSRNNGEFSTQEIRAYLPLT
LGNHSVTPYTRIGLRWSNGE
GHDFNRVGLFYGYDFQNGLS
VSLEYAFEWQDHDEGDSDKF
HYAGVGVNYSF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 725 |
| 15N chemical shifts | 237 |
| 1H chemical shifts | 237 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 271 residues - 31502.029 Da.
| 1 | GLU | GLU | ARG | ASN | ASP | TRP | HIS | PHE | ASN | ILE | ||||
| 2 | GLY | ALA | MET | TYR | GLU | ILE | GLU | ASN | VAL | GLU | ||||
| 3 | GLY | TYR | GLY | GLU | ASP | MET | ASP | GLY | LEU | ALA | ||||
| 4 | GLU | PRO | SER | VAL | TYR | PHE | ASN | ALA | ALA | ASN | ||||
| 5 | GLY | PRO | TRP | ARG | ILE | ALA | LEU | ALA | TYR | TYR | ||||
| 6 | GLN | GLU | GLY | PRO | VAL | ASP | TYR | SER | ALA | GLY | ||||
| 7 | LYS | ARG | GLY | THR | TRP | PHE | ASP | ARG | PRO | GLU | ||||
| 8 | LEU | GLU | VAL | HIS | TYR | GLN | PHE | LEU | GLU | ASN | ||||
| 9 | ASP | ASP | PHE | SER | PHE | GLY | LEU | THR | GLY | GLY | ||||
| 10 | PHE | ARG | ASN | TYR | GLY | TYR | HIS | TYR | VAL | ASP | ||||
| 11 | GLU | PRO | GLY | LYS | ASP | THR | ALA | ASN | MET | GLN | ||||
| 12 | ARG | TRP | LYS | ILE | ALA | PRO | ASP | TRP | ASP | VAL | ||||
| 13 | LYS | LEU | THR | ASP | ASP | LEU | ARG | PHE | ASN | GLY | ||||
| 14 | TRP | LEU | SER | MET | TYR | LYS | PHE | ALA | ASN | ASP | ||||
| 15 | LEU | ASN | THR | THR | GLY | TYR | ALA | ASP | THR | ARG | ||||
| 16 | VAL | GLU | THR | GLU | THR | GLY | LEU | GLN | TYR | THR | ||||
| 17 | PHE | ASN | GLU | THR | VAL | ALA | LEU | ARG | VAL | ASN | ||||
| 18 | TYR | TYR | LEU | GLU | ARG | GLY | PHE | ASN | MET | ASP | ||||
| 19 | ASP | SER | ARG | ASN | ASN | GLY | GLU | PHE | SER | THR | ||||
| 20 | GLN | GLU | ILE | ARG | ALA | TYR | LEU | PRO | LEU | THR | ||||
| 21 | LEU | GLY | ASN | HIS | SER | VAL | THR | PRO | TYR | THR | ||||
| 22 | ARG | ILE | GLY | LEU | ARG | TRP | SER | ASN | GLY | GLU | ||||
| 23 | GLY | HIS | ASP | PHE | ASN | ARG | VAL | GLY | LEU | PHE | ||||
| 24 | TYR | GLY | TYR | ASP | PHE | GLN | ASN | GLY | LEU | SER | ||||
| 25 | VAL | SER | LEU | GLU | TYR | ALA | PHE | GLU | TRP | GLN | ||||
| 26 | ASP | HIS | ASP | GLU | GLY | ASP | SER | ASP | LYS | PHE | ||||
| 27 | HIS | TYR | ALA | GLY | VAL | GLY | VAL | ASN | TYR | SER | ||||
| 28 | PHE |
Samples:
sample_1: OmpG delta-L6-D215 mutant, [U-13C; U-15N; U-2H], 1 mM; DPC 200 mM; Bis-Tris 25 mM; sodium chloride 50 mM; sodium azide 0.05 % w/v
sample_conditions_1: ionic strength: 50 mM; pH: 6.3; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N-1H-1H NOESY-TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N-1H-15N HSQC-NOESY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
Sparky v3, Goddard and Kneller - chemical shift assignment
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis
NMR spectrometers:
- Bruker AVANCE III 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts