BMRB Entry 15823
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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/BMR15823
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Title: Solution NMR structure of protein Atu0742 from Agrobacterium Tumefaciens. Northeast Structural Genomics Consortium (NESG0) target AtT8. Ontario Center for Structural Proteomics target ATC0727.
Deposition date: 2008-06-24 Original release date: 2008-08-08
Authors: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Semesi, Antony; Arrowsmith, Cheryl
Citation: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Semesi, Antony; Arrowsmith, Cheryl. "Solution structure of protein ATC0727 from Agrobacterium Tumefaciens." Not known ., .-..
Assembly members:
Atu0742, polymer, 123 residues, 14076.057 Da.
Natural source: Common Name: Agrobacterium tumefaciens Taxonomy ID: 358 Superkingdom: Bacteria Kingdom: not available Genus/species: Agrobacterium tumefaciens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Atu0742: MNSEIELPVQKQLEAYNARD
IDAFMAWWADDCQYYAFPAT
LLAGNAAEIRVRHIERFKEP
DLYGELLTRVIVGNVVIDHE
TVTRNFPEGKGEVDVACIYE
VENGRIAKAWFKIGEPRIVS
QKS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 512 |
| 15N chemical shifts | 124 |
| 1H chemical shifts | 851 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Atu0742 | 1 |
Entities:
Entity 1, Atu0742 123 residues - 14076.057 Da.
| 1 | MET | ASN | SER | GLU | ILE | GLU | LEU | PRO | VAL | GLN | ||||
| 2 | LYS | GLN | LEU | GLU | ALA | TYR | ASN | ALA | ARG | ASP | ||||
| 3 | ILE | ASP | ALA | PHE | MET | ALA | TRP | TRP | ALA | ASP | ||||
| 4 | ASP | CYS | GLN | TYR | TYR | ALA | PHE | PRO | ALA | THR | ||||
| 5 | LEU | LEU | ALA | GLY | ASN | ALA | ALA | GLU | ILE | ARG | ||||
| 6 | VAL | ARG | HIS | ILE | GLU | ARG | PHE | LYS | GLU | PRO | ||||
| 7 | ASP | LEU | TYR | GLY | GLU | LEU | LEU | THR | ARG | VAL | ||||
| 8 | ILE | VAL | GLY | ASN | VAL | VAL | ILE | ASP | HIS | GLU | ||||
| 9 | THR | VAL | THR | ARG | ASN | PHE | PRO | GLU | GLY | LYS | ||||
| 10 | GLY | GLU | VAL | ASP | VAL | ALA | CYS | ILE | TYR | GLU | ||||
| 11 | VAL | GLU | ASN | GLY | ARG | ILE | ALA | LYS | ALA | TRP | ||||
| 12 | PHE | LYS | ILE | GLY | GLU | PRO | ARG | ILE | VAL | SER | ||||
| 13 | GLN | LYS | SER |
Samples:
sample_1: Atu0742, [U-13C; U-15N], 0.5 mM; mops 10 mM; potassium chloride 450 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; benzamidine 10 mM; H2O 90%; D2O, [U-100% 2H], 10%
sample_conditions_1: ionic strength: 450 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C_arom NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - peak picking
FMC, Lemak, Steren, Arrowsmith,Llinas - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| GB | AAK86550 EGL67187 KEY55144 KJX89270 |
| REF | NP_353765 WP_006309793 WP_010971114 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts