BMRB Entry 16255
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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/BMR16255
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Title: Solution Structure Of Protein Nmul_A0922 From Nitrosospira multiformis. Northeast Structural Genomics Consortium Target Hr5524a.
Deposition date: 2009-04-13 Original release date: 2009-05-20
Authors: Wu, Yibing; Mills, Jeffrey; Wang, Dongyan; Ciccosanti, Colleen; Sukumaran, Dinesh; Jiang, Mei; Garcia, Erwin; Nair, R.; Rost, B.; Swapna, G.V.T; Acton, T.B.; Xiao, R.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas
Citation: Wu, Yibing; Mills, Jeffrey; Wang, Dongyan; Ciccosanti, Colleen; Sukumaran, Dinesh; Jiang, Mei; Garcia, Erwin; Nair, R.; Rost, B.; Swapna, G.V.T; Acton, T.B.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas. "Solution Structure Of Protein Nmul_A0922 From Nitrosospira multiformis. Northeast Structural Genomics Consortium Target Hr5524a." Not known ., .-..
Assembly members:
Nmul_A0922, polymer, 106 residues, 12399.174 Da.
Natural source: Common Name: Nitrosopira multiformis Taxonomy ID: 323848 Superkingdom: Bacteria Kingdom: Proteobacteria Genus/species: Nitrosospira multiformis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Nmul_A0922: MTFSECAALYIKAHRSSWKN
TKHADQWTNTIKTYCGPVIG
PLSVQDVDTKLIMKVLDPIW
EQKPETASRLRGRIESVLDW
ATVRGYREGDNPARWRGYLE
HHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 353 |
| 15N chemical shifts | 107 |
| 1H chemical shifts | 723 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Nmul_A0922 | 1 |
Entities:
Entity 1, Nmul_A0922 106 residues - 12399.174 Da.
| 1 | MET | THR | PHE | SER | GLU | CYS | ALA | ALA | LEU | TYR | ||||
| 2 | ILE | LYS | ALA | HIS | ARG | SER | SER | TRP | LYS | ASN | ||||
| 3 | THR | LYS | HIS | ALA | ASP | GLN | TRP | THR | ASN | THR | ||||
| 4 | ILE | LYS | THR | TYR | CYS | GLY | PRO | VAL | ILE | GLY | ||||
| 5 | PRO | LEU | SER | VAL | GLN | ASP | VAL | ASP | THR | LYS | ||||
| 6 | LEU | ILE | MET | LYS | VAL | LEU | ASP | PRO | ILE | TRP | ||||
| 7 | GLU | GLN | LYS | PRO | GLU | THR | ALA | SER | ARG | LEU | ||||
| 8 | ARG | GLY | ARG | ILE | GLU | SER | VAL | LEU | ASP | TRP | ||||
| 9 | ALA | THR | VAL | ARG | GLY | TYR | ARG | GLU | GLY | ASP | ||||
| 10 | ASN | PRO | ALA | ARG | TRP | ARG | GLY | TYR | LEU | GLU | ||||
| 11 | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 0.9 mM; H20 90.0%; D20 10.0%
sample_2: entity, [U-5% 13C; U-100% 15N], 1.0 mM; H20 90.0%; D20 10.0%
sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 298 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-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| (4,3) D GFT HNNCABCA | sample_1 | isotropic | sample_conditions_1 |
| (4,3) D GFT CABCACONHN | sample_1 | isotropic | sample_conditions_1 |
| (4,3) D GFT HABCABCONHN | sample_1 | isotropic | sample_conditions_1 |
| (4,3) D GFT HCCH | sample_1 | isotropic | sample_conditions_1 |
| 3D 15N-13C RESOLVED SIMULTANEOUS NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
XEASY, Bartels et al. - data analysis
TALOS, Cornilescu, Delaglio and Bax - data analysis
PSVS, Bhattacharya and Montelione - refinement
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts