BMRB Entry 15476
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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/BMR15476
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Title: Solution NMR structure of the folded N-terminal fragment of UPF0291 protein ynzC from Bacillus subtilis. Northeast Structural Genomics target SR384-1-46. PubMed: 18431750
Deposition date: 2007-09-18 Original release date: 2007-09-21
Authors: Aramini, James; Sharma, Seema; Huang, Yuanpeng; Zhao, Li; Owens, Leah; Stokes, Kate; Jiang, Mei; Xiao, Rong; Baran, Micheal; Swapna, Gurla; Acton, Thomas; Montelione, Gaetano
Citation: Aramini, James; Sharma, Seema; Huang, Yuanpeng; Swapna, Gurla; Ho, Chi Kent; Shetty, Karishma; Cunningham, Kellie; Ma, Li-Chung; Zhao, Li; Owens, Leah; Jiang, Mei; Xiao, Rong; Liu, Jinfeng; Baran, Micheal; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR structure of the SOS response protein YnzC from Bacillus subtilis" Proteins 72, 526-530 (2008).
Assembly members:
SR384-1-46, polymer, 54 residues, 6290.301 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
SR384-1-46: MISNAKIARINELAAKAKAG
VITEEEKAEQQKLRQEYLKG
FRSSMKLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 221 |
| 15N chemical shifts | 52 |
| 1H chemical shifts | 356 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | SR384-1-46 | 1 |
Entities:
Entity 1, SR384-1-46 54 residues - 6290.301 Da.
C-terminal LEHHHHHH purification tag starting at residue 47.
| 1 | MET | ILE | SER | ASN | ALA | LYS | ILE | ALA | ARG | ILE | ||||
| 2 | ASN | GLU | LEU | ALA | ALA | LYS | ALA | LYS | ALA | GLY | ||||
| 3 | VAL | ILE | THR | GLU | GLU | GLU | LYS | ALA | GLU | GLN | ||||
| 4 | GLN | LYS | LEU | ARG | GLN | GLU | TYR | LEU | LYS | GLY | ||||
| 5 | PHE | ARG | SER | SER | MET | LYS | LEU | GLU | HIS | HIS | ||||
| 6 | HIS | HIS | HIS | HIS |
Samples:
sample_1: SR384-1-46, [U-100% 13C; U-100% 15N], 1.36 mM; MES 20 mM; sodium chloride 100 mM; DTT 10 mM; calcium chloride 5 mM; sodium azide 0.02%
sample_2: SR384-1-46, [U-5% 13C; U-100% 15N], 1.1 mM; MES 20 mM; sodium chloride 100 mM; DTT 10 mM; calcium chloride 5 mM; sodium azide 0.02%
sample_conditions_1: 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 (aliph) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D simultaneous CN-NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC stereospecific Leu/Val methyl | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (arom) | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v1.3, Bruker Biospin - collection
AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - data analysis, RPF calculation
PSVS v1.3, Bhattacharya and Montelione - structure validation
PDBStat v5.0, Tejero and Montelione - PDB analysis
Procheck, Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Th - structure validation
MolProbity, Richardson - structure validation
SPARKY v3.110, Goddard - data analysis, peak picking
VNMR v6.1C, Varian - collection
NMR spectrometers:
- Bruker Avance 800 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAI85472 BAM52440 BAM58016 GAK81555 |
| EMBL | CAB13672 CCU58402 CEI56979 CEJ77403 CJS75223 |
| GB | ADV92690 AEP86787 AEP90959 AFI28488 AFQ57722 |
| REF | NP_389671 WP_003231595 WP_010330660 WP_014113934 WP_014664125 |
| SP | O31818 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts