BMRB Entry 30662
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30662
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NMR-STAR v3 text file.
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Title: Solution NMR Structure Of The Partially Activated MTS Deleted Form MinE Protein (delta10-ngMinE) From Neisseria gonorrheae PubMed: 31772021
Deposition date: 2019-08-30 Original release date: 2020-07-05
Authors: Cai, M.; Shen, Y.; Clore, M.
Citation: Cai, Mengli; Huang, Ying; Shen, Yang; Li, Min; Mizuuchi, Michiyo; Ghirlando, Rodolfo; Mizuuchi, Kiyoshi; Clore, G Marius. "Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy" Proc Natl Acad Sci U S A 116, 25446-25455 (2019).
Assembly members:
entity_1, polymer, 85 residues, 9963.371 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):
entity_1: KQKTATVARDRLQIIIAQER
AQEGQTPDYLPTLRKELMEV
LSKYVNVSLDNIRISQEKQD
GMDVLELNITLPEQKKVLEH
HHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 234 |
| 15N chemical shifts | 76 |
| 1H chemical shifts | 149 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1, 1 | 1 |
| 2 | entity_1, 2 | 1 |
Entities:
Entity 1, entity_1, 1 85 residues - 9963.371 Da.
| 1 | LYS | GLN | LYS | THR | ALA | THR | VAL | ALA | ARG | ASP | ||||
| 2 | ARG | LEU | GLN | ILE | ILE | ILE | ALA | GLN | GLU | ARG | ||||
| 3 | ALA | GLN | GLU | GLY | GLN | THR | PRO | ASP | TYR | LEU | ||||
| 4 | PRO | THR | LEU | ARG | LYS | GLU | LEU | MET | GLU | VAL | ||||
| 5 | LEU | SER | LYS | TYR | VAL | ASN | VAL | SER | LEU | ASP | ||||
| 6 | ASN | ILE | ARG | ILE | SER | GLN | GLU | LYS | GLN | ASP | ||||
| 7 | GLY | MET | ASP | VAL | LEU | GLU | LEU | ASN | ILE | THR | ||||
| 8 | LEU | PRO | GLU | GLN | LYS | LYS | VAL | LEU | GLU | HIS | ||||
| 9 | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: MinE-d10, [U-13C; U-15N], 1.0 mM; potassium phosphate 25 mM; EDTA 0.5 mM; benzamidine chloride 0.1 mM
sample_2: MinE-wt, [U-13C; U-15N], 1.0 mM; potassium phosphate 25 mM; EDTA 0.5 mM; benzamidine chloride 0.1 mM
sample_3: MinE-d10-RDC, [U-2H; U-15N], 1.0 mM; MinE-d10-CPMG, [U-2H; U-15N], 1.0 mM
sample_4: MinE-d10-CPMG, [U-2H; U-15N], 1.0 mM; MinE-wt-RDC, [U-2H; U-15N], 1.0 mM
sample_conditions_1: ionic strength: 25 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K
sample_conditions_2: ionic strength: 200 mM; pH: 6.5; pressure: 1 bar; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CBCACO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HBHA(CBCACO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| HSQC IPAP | sample_3 | anisotropic | sample_conditions_2 |
| HSQC IPAP | sample_3 | isotropic | sample_conditions_2 |
| HSQC IPAP | sample_4 | anisotropic | sample_conditions_2 |
| HSQC IPAP | sample_4 | isotropic | sample_conditions_2 |
Software:
PIPP, Garrett - chemical shift assignment, peak picking
CS-ROSETTA, Shen, Vernon, Baker and Bax - refinement, structure calculation
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AVANCE 500 MHz
- Bruker AVANCE 600 MHz
- Bruker AVANCE 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts