BMRB Entry 16791
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16791
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Title: solution NMR structure of yaiA from Escherichia Eoli. Northeast Structural Genomics Target ER244
Deposition date: 2010-03-28 Original release date: 2010-04-26
Authors: Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Geatano
Citation: Tang, Yuefeng; Janjua, Haleema; Xiao, Rong; Acton, Thomas; Swapna, G.V.T.; Rost, Burkhard; Montelione, Gaetano. "solution NMR structure of yaiA from Escherichia coli. Northeast Structural Genomics Target ER244" Not known ., .-..
Assembly members:
yaiA, polymer, 71 residues, 16710.875 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: not available Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
yaiA: MPTKPPYPREAYIVTIEKGK
PGQTVTWYQLRADHPKPDSL
ISEHPTAQEAMDAKKRYEDP
DKELEHHHHHH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 281 |
| 15N chemical shifts | 58 |
| 1H chemical shifts | 445 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ER244 | 1 |
Entities:
Entity 1, ER244 71 residues - 16710.875 Da.
residue 64 to 71 represent a non-native purification tag (LEHHHHHH)
| 1 | MET | PRO | THR | LYS | PRO | PRO | TYR | PRO | ARG | GLU | ||||
| 2 | ALA | TYR | ILE | VAL | THR | ILE | GLU | LYS | GLY | LYS | ||||
| 3 | PRO | GLY | GLN | THR | VAL | THR | TRP | TYR | GLN | LEU | ||||
| 4 | ARG | ALA | ASP | HIS | PRO | LYS | PRO | ASP | SER | LEU | ||||
| 5 | ILE | SER | GLU | HIS | PRO | THR | ALA | GLN | GLU | ALA | ||||
| 6 | MET | ASP | ALA | LYS | LYS | ARG | TYR | GLU | ASP | PRO | ||||
| 7 | ASP | LYS | GLU | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 8 | HIS |
Samples:
sample_2: ER244, [U-5% 13C; U-100% 15N], 1.00 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%
sample_1: ER244, [U-100% 13C; U-100% 15N], 1.37 mM; DTT 5 mM; sodium chloride 100 mM; TRIS 10 mM; NaN3 10 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; 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 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C aliphatic NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C aromatic NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC (high resolution) | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v2.1, Bruker Biospin - collection
SPARKY v3.110, Goddard - data analysis, peak picking
AutoAssign v2.2.1, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment
CYANA v3.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - structure solution
CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
PSVS v1.4, Bhattacharya and Montelione - structure validation
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAB33862 BAE76170 BAG75934 BAI23762 BAI29233 |
| EMBL | CAP74924 CAQ30857 CAQ97261 CAR01733 CAR06622 |
| GB | AAA83834 AAB18113 AAC73492 AAG54735 AAN41984 |
| REF | NP_308466 NP_414923 NP_706277 WP_001142433 WP_001142434 |
| SP | P0AAN5 P0AAN6 P0AAN7 P0AAN8 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts