BMRB Entry 16921
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16921
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Title: 1H, 13C, 15N chemical shifts for the bacterial cell division regulator MinE. PubMed: 20623208
Deposition date: 2010-05-11 Original release date: 2010-07-26
Authors: Ducat, Thierry; Goto, Natalie
Citation: Ducat, Thierry; Goto, Natalie. "1H, 13C, 15N chemical shift assignments for the Neisseria gonorrhoeae MinE regulator of cell division septum placement." Biomol. NMR Assignments 4, 227-229 (2010).
Assembly members:
MinE, polymer, 95 residues, 11048 Da.
Natural source: Common Name: Neisseria gonorrhoeae Taxonomy ID: 485 Superkingdom: Bacteria Kingdom: not available Genus/species: Neisseria gonorrhoeae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
MinE: MSLIELLFGRKQKTATVARD
RLQIIIAQERAQEGQTPDYL
PTLRKALMEVLSKYVNVSLD
NIRISQEKQDGMDVLELNIT
LPEQKKVLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 377 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 640 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MinE, chain 1 | 1 |
| 2 | MinE, chain 2 | 1 |
Entities:
Entity 1, MinE, chain 1 95 residues - 11048 Da.
Two non-native residues (introduced from sub-cloning) plus 6 histidine residues (for purification) included at the C-terminus of the MinE sequence from N. gonorrhoeae.
| 1 | MET | SER | LEU | ILE | GLU | LEU | LEU | PHE | GLY | ARG | ||||
| 2 | LYS | GLN | LYS | THR | ALA | THR | VAL | ALA | ARG | ASP | ||||
| 3 | ARG | LEU | GLN | ILE | ILE | ILE | ALA | GLN | GLU | ARG | ||||
| 4 | ALA | GLN | GLU | GLY | GLN | THR | PRO | ASP | TYR | LEU | ||||
| 5 | PRO | THR | LEU | ARG | LYS | ALA | LEU | MET | GLU | VAL | ||||
| 6 | LEU | SER | LYS | TYR | VAL | ASN | VAL | SER | LEU | ASP | ||||
| 7 | ASN | ILE | ARG | ILE | SER | GLN | GLU | LYS | GLN | ASP | ||||
| 8 | GLY | MET | ASP | VAL | LEU | GLU | LEU | ASN | ILE | THR | ||||
| 9 | LEU | PRO | GLU | GLN | LYS | LYS | VAL | LEU | GLU | HIS | ||||
| 10 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: MinE, [U-100% 13C; U-100% 15N], 0.8 – 1.0 mM; sodium chloride 45 mM; TRIS 22.5 mM; H2O 90%; D2O 10%
sample_2: MinE, [U-100% 13C; U-100% 15N], 0.6 mM; sodium chloride 50 mM; TRIS 25 mM; D2O 100%
sample_conditions_1: ionic strength: 0.045 M; pH: 7.2; pressure: 1 atm; temperature: 298 K
sample_conditions_2: ionic strength: 0.050 M; pH: 7.2; pressure: 1 atm; temperature: 298 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 HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_2 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-15N TOCSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_2 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, chemical shift calculation
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 500 MHz
- Varian INOVA 800 MHz
Related Database Links:
| PDB | |
| EMBL | CAM07417 CEZ97582 CFA84494 CFB79676 CFC32949 |
| GB | AAK30127 AAW90432 ACF31058 AKP11296 AKP13283 |
| REF | WP_002246740 WP_003690052 WP_003749826 YP_208844 |
| SP | P58152 Q5F5V5 Q9JX18 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts