BMRB Entry 15341
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15341
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Title: Solution Structure of Q5LLS5 from Silicibacter pomeroyi. Northeast Structural Genomics Consortium target SiR90.
Deposition date: 2007-06-28 Original release date: 2007-07-23
Authors: Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Wang, H; Acton, T; Xiao, R; Baran, M; Rost, B; Montelione, G.
Citation: Swapna, G.; Tejero, R; Jiang, M; Cunningham, K; Maglaqui, M; Owens, L; Liu, J.; Baran, M; Acton, T; Xiao, R; Rost, B; Montelione, G.. "NMR solution Structure of Q5LLS5 from Silicibacter pomeroyi.Northeast Structural Genomics Consortium target SiR90" Not known ., .-..
Assembly members:
SiR90, polymer, 67 residues, 7520.601 Da.
Natural source: Common Name: Silicibacter pomeroyi Taxonomy ID: 89184 Superkingdom: Bacteria Kingdom: not available Genus/species: Silicibacter pomeroyi
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SiR90: MTIQAPETKIVDKSRVACDG
GEGALGHPRVWLQIPEDTGW
VECPYCDCKYVLKGSKADAL
EHHHHHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 206 |
| 15N chemical shifts | 62 |
| 1H chemical shifts | 415 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | full length SiR90 | 1 |
Entities:
Entity 1, full length SiR90 67 residues - 7520.601 Da.
Residues 60-67 represent a non-native affinity purification tag (LEHHHHHH)
| 1 | MET | THR | ILE | GLN | ALA | PRO | GLU | THR | LYS | ILE | ||||
| 2 | VAL | ASP | LYS | SER | ARG | VAL | ALA | CYS | ASP | GLY | ||||
| 3 | GLY | GLU | GLY | ALA | LEU | GLY | HIS | PRO | ARG | VAL | ||||
| 4 | TRP | LEU | GLN | ILE | PRO | GLU | ASP | THR | GLY | TRP | ||||
| 5 | VAL | GLU | CYS | PRO | TYR | CYS | ASP | CYS | LYS | TYR | ||||
| 6 | VAL | LEU | LYS | GLY | SER | LYS | ALA | ASP | ALA | LEU | ||||
| 7 | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: SiR90, [5% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM
sample_2: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM
sample_3: SiR90, [U-100% 13C; U-100% 15N], 0.65 mM; Tris 10 mM; DTT 5 mM; NaCl 100 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
sample_conditions_2: ionic strength: 100 M; pH: 6.5; pressure: 1 atm; temperature: 293 K
sample_conditions_3: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-13C HSQC (aliph) | sample_2 | isotropic | sample_conditions_2 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_2 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_2 |
| 3D HBHA(CO)NH | sample_2 | isotropic | sample_conditions_2 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-13C NOESY (aliph) | sample_2 | isotropic | sample_conditions_2 |
| 2D 1H-15N HSQC | sample_3 | isotropic | sample_conditions_3 |
| 2D 1H-13C HSQC (arom) | sample_2 | isotropic | sample_conditions_2 |
| 3D 1H-13C NOESY (arom) | sample_2 | isotropic | sample_conditions_2 |
Software:
PSVS v1.3, Bhattacharya , Hang and Montelione - Structure Validation
PDBStat v4.1, Roberto Tejero and Montelione - data analysis
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - refinement
AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - refinement, structure solution
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY v3.110, Goddard - data analysis
VNMR v6.1c, Varian - collection
AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts