BMRB Entry 15721
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Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15721
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Title: Solution structure of protein ATU1203 from AGROBACTERIUM TUMEFACIENS. NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) target ATT10, Ontario Center for Structural Proteomics target ATC1183
Deposition date: 2008-04-08 Original release date: 2008-04-17
Authors: Lemak, Alexander; Gutmanas, Alexandras; Yee, Adelinda; Semesi, Antony; Arrowsmith, Cheryl
Citation: Lemak, Alexander; Gutmanas, Alexandras; Yee, Adelinda; Semesi, Antony; Arrowsmith, Cheryl. "Solution structure of protein Atu1203 from Agrobacterium tumefaciens" . ., .-..
Assembly members:
ATU1203, polymer, 85 residues, 6335.192 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):
ATU1203: MGSSHHHHHHSSGRENLYFQ
GAGLSFHVEDMTCGHCAGVI
KGAIEKTVPGAAVHADPASR
TVVVGGVSDAAHIAEIITAA
GYTPE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 221 |
| 15N chemical shifts | 49 |
| 1H chemical shifts | 369 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ATU1203 | 1 |
Entities:
Entity 1, ATU1203 85 residues - 6335.192 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | ARG | GLU | ASN | LEU | TYR | PHE | GLN | ||||
| 3 | GLY | ALA | GLY | LEU | SER | PHE | HIS | VAL | GLU | ASP | ||||
| 4 | MET | THR | CYS | GLY | HIS | CYS | ALA | GLY | VAL | ILE | ||||
| 5 | LYS | GLY | ALA | ILE | GLU | LYS | THR | VAL | PRO | GLY | ||||
| 6 | ALA | ALA | VAL | HIS | ALA | ASP | PRO | ALA | SER | ARG | ||||
| 7 | THR | VAL | VAL | VAL | GLY | GLY | VAL | SER | ASP | ALA | ||||
| 8 | ALA | HIS | ILE | ALA | GLU | ILE | ILE | THR | ALA | ALA | ||||
| 9 | GLY | TYR | THR | PRO | GLU |
Samples:
sample_1: ATU1203, [U-13C; U-15N], 0.5 mM; MOPS 10 mM; sodium chloride 450 mM; DTT 10 mM; benzamidine 10 mM; NaN3 0.01%; ZnSO4 10 uM
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 HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C_aliph NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C_arom NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
TALOS, Cornilescu, Delaglio and Bax - data analysis
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Varian INOVA 500 MHz
- 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