BMRB Entry 34153
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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/BMR34153
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NMR-STAR v3 text file.
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Title: M. tuberculosis [4Fe-4S] protein WhiB1 is a four-helix bundle that forms a NO-sensitive complex with sigmaA and regulates the major virulence factor ESX-1 PubMed: 29273788
Deposition date: 2017-06-25 Original release date: 2017-12-26
Authors: Williamson, M.; Green, J.; Hounslow, A.
Citation: Kudhair, B.; Hounslow, A.; Rolfe, M.; Crack, J.; Hunt, D.; Buxton, R.; Smith, L.; Le Brun, N.; Williamson, M.; Green, J.. "Structure of a Wbl protein and implications for NO sensing by M. tuberculosis" Nat. Commun. 8, 2280-2280 (2017).
Assembly members:
Transcriptional regulator WhiB1, polymer, 94 residues, 10383.681 Da.
IRON/SULFUR CLUSTER, non-polymer, 351.640 Da.
Natural source: Common Name: Mycobacterium tuberculosis Taxonomy ID: 83332 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Mycobacterium smegmatis
Entity Sequences (FASTA):
Transcriptional regulator WhiB1: AGENLYFQGAMDWRHKAVCR
DEDPELFFPVGNSGPALAQI
ADAKLVCNRCPVTTECLSWA
LNTGQDSGVWGGMSEDERRA
LKRRNARTKARTGV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 322 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 449 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
| 2 | entity_2 | 2 |
Entities:
Entity 1, entity_1 94 residues - 10383.681 Da.
| 1 | ALA | GLY | GLU | ASN | LEU | TYR | PHE | GLN | GLY | ALA | ||||
| 2 | MET | ASP | TRP | ARG | HIS | LYS | ALA | VAL | CYS | ARG | ||||
| 3 | ASP | GLU | ASP | PRO | GLU | LEU | PHE | PHE | PRO | VAL | ||||
| 4 | GLY | ASN | SER | GLY | PRO | ALA | LEU | ALA | GLN | ILE | ||||
| 5 | ALA | ASP | ALA | LYS | LEU | VAL | CYS | ASN | ARG | CYS | ||||
| 6 | PRO | VAL | THR | THR | GLU | CYS | LEU | SER | TRP | ALA | ||||
| 7 | LEU | ASN | THR | GLY | GLN | ASP | SER | GLY | VAL | TRP | ||||
| 8 | GLY | GLY | MET | SER | GLU | ASP | GLU | ARG | ARG | ALA | ||||
| 9 | LEU | LYS | ARG | ARG | ASN | ALA | ARG | THR | LYS | ALA | ||||
| 10 | ARG | THR | GLY | VAL |
Entity 2, entity_2 - Fe4 S4 - 351.640 Da.
| 1 | SF4 |
Samples:
sample_1: WhiB1 protein 0.3 mM; sodium chloride 250 mM; sodium phosphate 25 mM
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| HNCA(N)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| HBCB(CGCD)HD | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts