BMRB Entry 16592
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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/BMR16592
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Title: Solution NMR structure of a domain from BT9727_4915 from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR95A
Deposition date: 2009-10-30 Original release date: 2009-11-30
Authors: He, Yunfen; Mills, Jeffrey; Wu, Yibing; Eletsky, Alexander; Wang, Huang; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.; Szyperski, Thomas
Citation: He, Yunfen; Mills, Jeffrey; Wu, Yibing; Eletsky, Alexander; Wang, Huang; Ciccosanti, Colleen; Hamilton, Keith; Acton, T.; Xiao, R.; Everett, J.; Montelione, G.; Szyperski, Thomas. "Solution NMR structure of a domain from BT9727_4915 from Bacillus thuringiensis, Northeast Structural Genomics Consortium Target BuR95A" Not known ., .-..
Assembly members:
BT9727_4915, polymer, 70 residues, 7893.819 Da.
Natural source: Common Name: B. thuringiensis Taxonomy ID: 1428 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus thuringiensis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
BT9727_4915: MIGDYYINASALNVRSGEGT
NYRIIGALPQGQKVQVISEN
SGWSKINYNGQTGYIGTRYL
SKLEHHHHHH
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 149 |
15N chemical shifts | 53 |
1H chemical shifts | 314 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | BT9727_4915 | 1 |
Entities:
Entity 1, BT9727_4915 70 residues - 7893.819 Da.
1 | MET | ILE | GLY | ASP | TYR | TYR | ILE | ASN | ALA | SER | |
2 | ALA | LEU | ASN | VAL | ARG | SER | GLY | GLU | GLY | THR | |
3 | ASN | TYR | ARG | ILE | ILE | GLY | ALA | LEU | PRO | GLN | |
4 | GLY | GLN | LYS | VAL | GLN | VAL | ILE | SER | GLU | ASN | |
5 | SER | GLY | TRP | SER | LYS | ILE | ASN | TYR | ASN | GLY | |
6 | GLN | THR | GLY | TYR | ILE | GLY | THR | ARG | TYR | LEU | |
7 | SER | LYS | LEU | GLU | HIS | HIS | HIS | HIS | HIS | HIS |
Samples:
NC: BuR95A, [U-98% 13C; U-98% 15N], 0.905 mM; H2O 90 % v/v; D2O, [U-100% 2H], 10 % v/v; NH4OAc 20 mM; NaCl 200 mM; CaCl2 5 mM; DTT 10 mM; DSS 50 uM
NC5: BuR95A, [U-5% 13C; U-98% 15N], 1.041 mM; H2O 90 % v/v; D2O, [U-100% 2H], 10 % v/v; NH4OAc 20 mM; NaCl 200 mM; CaCl2 5 mM; DTT 10 mM; DSS 50 uM
sample_conditions_1: ionic strength: 217.5 mM; pH: 4.5; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | NC | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | NC | isotropic | sample_conditions_1 |
GFT (4,3)D CABCA(CO)NHN | NC | isotropic | sample_conditions_1 |
GFT (4,3)D HNNCABCA | NC | isotropic | sample_conditions_1 |
GFT (4,3)D HABCAB(CO)NHN | NC | isotropic | sample_conditions_1 |
3D HNCA | NC | isotropic | sample_conditions_1 |
simNOESY | NC | isotropic | sample_conditions_1 |
3D 1H-15N TOCSY | NC5 | isotropic | sample_conditions_1 |
3D HNCO | NC | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | NC5 | 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
VNMRJ, Varian - collection
TOPSPIN, Bruker Biospin - collection
PROSA, Guntert - processing
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
Molmol, Koradi, Billeter and Wuthrich - refinement
SPSCAN, Glaser - processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
PDB |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts