BMRB Entry 15608
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15608
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Title: NMR STRUCTURE OF PROTEIN VPA0419 FROM VIBRIO PARAHAEMOLYTICUS: NORTHEAST STRUCTURAL GENOMICS TARGET VPR68.
Deposition date: 2007-12-28 Original release date: 2008-02-13
Authors: SINGARAPU, KIRAN KUMAR; SUKUMARAN, DINESH; ELETSKI, ALEX; PARISH, DAVID; Zhao, Li; Jiang, Mei; Maglaqui, Melissa; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; SZYPERSKI, THOMAS
Citation: SINGARAPU, KIRAN KUMAR; SUKUMARAN, DINESH; Xiao, Rong; Acton, THOMAS; Montelione, Gaetano; SZYPERSKI, THOMAS. "NMR STRUCTURE OF PROTEIN VPA0419 FROM VIBRIO PARAHAEMOLYTICUS: NORTHEAST STRUCTURAL GENOMICS TARGET VPR68." . ., .-..
Assembly members:
VPA0419, polymer, 91 residues, 10301.690 Da.
Natural source: Common Name: Vibrio parahaemolyticus Taxonomy ID: 670 Superkingdom: Bacteria Kingdom: not available Genus/species: Vibrio parahaemolyticus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
VPA0419: AGEIGFIIKEGDEVADVTIF
AETKDALESELAKYIELAKS
VCAGVEYNVSELTEESKELT
ARFKFEVSAEKLIFELKTRS
LARLEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 381 |
| 15N chemical shifts | 86 |
| 1H chemical shifts | 623 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | VPA0419 | 1 |
Entities:
Entity 1, VPA0419 91 residues - 10301.690 Da.
| 1 | ALA | GLY | GLU | ILE | GLY | PHE | ILE | ILE | LYS | GLU | ||||
| 2 | GLY | ASP | GLU | VAL | ALA | ASP | VAL | THR | ILE | PHE | ||||
| 3 | ALA | GLU | THR | LYS | ASP | ALA | LEU | GLU | SER | GLU | ||||
| 4 | LEU | ALA | LYS | TYR | ILE | GLU | LEU | ALA | LYS | SER | ||||
| 5 | VAL | CYS | ALA | GLY | VAL | GLU | TYR | ASN | VAL | SER | ||||
| 6 | GLU | LEU | THR | GLU | GLU | SER | LYS | GLU | LEU | THR | ||||
| 7 | ALA | ARG | PHE | LYS | PHE | GLU | VAL | SER | ALA | GLU | ||||
| 8 | LYS | LEU | ILE | PHE | GLU | LEU | LYS | THR | ARG | SER | ||||
| 9 | LEU | ALA | ARG | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 10 | HIS |
Samples:
sample_1: entity, [U-100% 13C; U-100% 15N], 1.07 mM; NaCl 100 mM; D2O, [U-100% 2H], 10%; H2O 90%
sample_conditions_1: ionic strength: 100 mM; pH: 5.5; 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 |
| 4,3 D GFT HNNACBCA | sample_1 | isotropic | sample_conditions_1 |
| 4,3 D GFT CABCACONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D HABCABCONHN | sample_1 | isotropic | sample_conditions_1 |
| 4,3D GFT HCCH COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D SimNOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
AutoStruct, Huang, Tejero, Powers and Montelione - chemical shift assignment
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PSVS, Bhattacharya and Montelione - validation
TALOS, Cornilescu, Delaglio and Bax - data analysis
VNMRJ, Varian - collection
NMR spectrometers:
- Varian INOVA 750 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAC61762 |
| GB | AGB11762 AGQ94127 AGQ97242 AHJ02336 AKU56863 |
| REF | NP_799929 WP_005480806 WP_005488152 WP_024701459 WP_025565380 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts