BMRB Entry 30034
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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/BMR30034
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Title: Solution structure of Rv1466 from Mycobacterium tuberculosis, a protein associated with [Fe-S] complex assembly and repair - Seattle Structural Genomics Center for Infectious Disease target MytuD.17486.a
Deposition date: 2016-03-13 Original release date: 2016-05-23
Authors: Buchko, G.; Seattle Structural Genomics Center for Infectious Disease (SSGCID), SSGCID
Citation: Buchko, G.; Hewitt, S.; Van Voorhis, W.C.; Myler, P.. "Solution structure of Rv1466, a Mycobacterium tuberculosis protein associated with [Fe-S] cluster assembly and repair." . ., .-..
Assembly members:
entity_1, polymer, 119 residues, 12688.023 Da.
Natural source: Common Name: Mycobacterium tuberculosis (strain ATCC 25177 / H37Ra) Taxonomy ID: 419947 Superkingdom: Bacteria Kingdom: not available Genus/species: Mycobacterium tuberculosis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: GPGSMSETSAPAEELLADVE
EAMRDVVDPELGINVVDLGL
VYGLDVQDGDEGTVALIDMT
LTSAACPLTDVIEDQSRSAL
VGSGLVDDIRINWVWNPPWG
PDKITEDGREQLRALGFTV
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 439 |
| 15N chemical shifts | 115 |
| 1H chemical shifts | 703 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1 | 1 |
Entities:
Entity 1, entity_1 119 residues - 12688.023 Da.
| 1 | GLY | PRO | GLY | SER | MET | SER | GLU | THR | SER | ALA | ||||
| 2 | PRO | ALA | GLU | GLU | LEU | LEU | ALA | ASP | VAL | GLU | ||||
| 3 | GLU | ALA | MET | ARG | ASP | VAL | VAL | ASP | PRO | GLU | ||||
| 4 | LEU | GLY | ILE | ASN | VAL | VAL | ASP | LEU | GLY | LEU | ||||
| 5 | VAL | TYR | GLY | LEU | ASP | VAL | GLN | ASP | GLY | ASP | ||||
| 6 | GLU | GLY | THR | VAL | ALA | LEU | ILE | ASP | MET | THR | ||||
| 7 | LEU | THR | SER | ALA | ALA | CYS | PRO | LEU | THR | ASP | ||||
| 8 | VAL | ILE | GLU | ASP | GLN | SER | ARG | SER | ALA | LEU | ||||
| 9 | VAL | GLY | SER | GLY | LEU | VAL | ASP | ASP | ILE | ARG | ||||
| 10 | ILE | ASN | TRP | VAL | TRP | ASN | PRO | PRO | TRP | GLY | ||||
| 11 | PRO | ASP | LYS | ILE | THR | GLU | ASP | GLY | ARG | GLU | ||||
| 12 | GLN | LEU | ARG | ALA | LEU | GLY | PHE | THR | VAL |
Samples:
sample_1: DTT 1 mM; Rv1466, [U-13C; U-15N], 1.0 ± 0.2 mM; TRIS 20 mM; sodium chloride 100 mM
sample_2: DTT 1 mM; Rv1466, [U-15N], 0.5 mM; TRIS 20 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 0.12 M; pH: 7.0; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | anisotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | anisotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | anisotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | anisotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | anisotropic | sample_conditions_1 |
| Deuterium exchange | sample_2 | anisotropic | sample_conditions_1 |
| 2D Delta | sample_1 | anisotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | anisotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | anisotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation
Felix v2007, Accelrys Software Inc. - processing
PSVS v1.5, Bhattacharya and Montelione - data analysis
SPARKY v3.115, Goddard - data analysis, peak picking
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 600 MHz
- Varian VXRS 750 MHz
- Varian VXRS 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts