BMRB Entry 16371
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16371
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27
Deposition date: 2009-06-29 Original release date: 2009-08-06
Authors: Wu, Yibing; Mills, Jeffrey; Wang, H.; Ciccosanti, C.; Jiang, M.; Sukumaran, Dinesh; Zhang, Qi; Nair, R.; Rost, B.; Acton, T.B.; Xiao, R.; Swapna, G.V.T.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas
Citation: Wu, Yibing; Mills, Jeffrey; Wang, H.; Ciccosanti, C.; Jiang, M.; Sukumaran, Dinesh; Zhang, Qi; Nair, R.; Rost, B.; Acton, T.B.; Xiao, R.; Swapna, G.V.T.; Everett, J.K.; Montelione, G.T.; Szyperski, Thomas. "Solution Structure Of Protein DSY2949 From Desulfitobacterium hafniense. Northeast Structural Genomics Consortium Target DhR27" Not known ., .-..
Assembly members:
DSY2949, polymer, 146 residues, 16823.293 Da.
Natural source: Common Name: Desulfitobacterium hafniense Taxonomy ID: 49338 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfitobacterium hafniense
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
DSY2949: MITLTKKQMEEMLAHARQAL
PNEACGLLGGRRDGDDRWVE
RVYPLNNLDQSPEHFSMDPR
EQLTAVKDMRKNGWVMLGNF
HSHPATPARPSAEDKRLAFD
PSLSYLIISLAEPQKPVCKS
FLIKKDGVDEEEIILKEELE
HHHHHH
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 486 |
| 15N chemical shifts | 142 |
| 1H chemical shifts | 1015 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DSY2949 | 1 |
Entities:
Entity 1, DSY2949 146 residues - 16823.293 Da.
| 1 | MET | ILE | THR | LEU | THR | LYS | LYS | GLN | MET | GLU | ||||
| 2 | GLU | MET | LEU | ALA | HIS | ALA | ARG | GLN | ALA | LEU | ||||
| 3 | PRO | ASN | GLU | ALA | CYS | GLY | LEU | LEU | GLY | GLY | ||||
| 4 | ARG | ARG | ASP | GLY | ASP | ASP | ARG | TRP | VAL | GLU | ||||
| 5 | ARG | VAL | TYR | PRO | LEU | ASN | ASN | LEU | ASP | GLN | ||||
| 6 | SER | PRO | GLU | HIS | PHE | SER | MET | ASP | PRO | ARG | ||||
| 7 | GLU | GLN | LEU | THR | ALA | VAL | LYS | ASP | MET | ARG | ||||
| 8 | LYS | ASN | GLY | TRP | VAL | MET | LEU | GLY | ASN | PHE | ||||
| 9 | HIS | SER | HIS | PRO | ALA | THR | PRO | ALA | ARG | PRO | ||||
| 10 | SER | ALA | GLU | ASP | LYS | ARG | LEU | ALA | PHE | ASP | ||||
| 11 | PRO | SER | LEU | SER | TYR | LEU | ILE | ILE | SER | LEU | ||||
| 12 | ALA | GLU | PRO | GLN | LYS | PRO | VAL | CYS | LYS | SER | ||||
| 13 | PHE | LEU | ILE | LYS | LYS | ASP | GLY | VAL | ASP | GLU | ||||
| 14 | GLU | GLU | ILE | ILE | LEU | LYS | GLU | GLU | LEU | GLU | ||||
| 15 | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 0.9 mM; H2O 90%; D2O 10%
sample_2: entity, [U-10% 13C; U-100% 15N], 0.9 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.2 M; pH: 4.5; 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_2 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| simNOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
AutoStruct, Huang, Tejero, Powers and Montelione - structure solution
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
PSVS, Bhattacharya and Montelione - refinement
TALOS, Cornilescu, Delaglio and Bax - refinement
XEASY, Bartels et al. - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
- Varian INOVA 750 MHz
Related Database Links:
| PDB | |
| DBJ | BAE84738 |
| EMBL | CDX03072 |
| GB | ACL22117 EHL04548 |
| REF | WP_005816173 WP_018212606 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts