BMRB Entry 15916
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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/BMR15916
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Title: Solution NMR structure of protein ATU0232 from AGROBACTERIUM TUMEFACIENS. Northeast Structural Genomics Consortium (NESG) target AtT3. Ontario Center for Structural Proteomics target ATC0223.
Deposition date: 2008-08-12 Original release date: 2010-09-24
Authors: Lemak, Alexander; Srisailam, Sampath; Yee, Adelinda; Bansal, Sonal; Semesi, Antony; Prestegard, Jim; Arrowsmith, Cheryl
Citation: Lemak, Alexander; Srisailam, Sampath; Yee, Adelinda; Bansal, Sonal; Semesi, Antony; Prestegard, Jim; Arrowsmith, Cheryl. "Solution structure of protein ATC0223 from Agrobacterium Tumefaciens." Not known ., .-..
Assembly members:
Atc0223, polymer, 83 residues, 6945.835 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):
Atc0223: MGSSHHHHHHSSGRENLYFQ
GMYKFEIYQDKAGEYRFRFK
ASNGETMFSSEGYKAKASAI
HAIESIKRNSAGADTVDLTT
MTA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 470 |
| 15N chemical shifts | 117 |
| 1H chemical shifts | 739 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Atc0223_1 | 1 |
| 2 | Atc0223_2 | 1 |
Entities:
Entity 1, Atc0223_1 83 residues - 6945.835 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 | MET | TYR | LYS | PHE | GLU | ILE | TYR | GLN | ASP | ||||
| 4 | LYS | ALA | GLY | GLU | TYR | ARG | PHE | ARG | PHE | LYS | ||||
| 5 | ALA | SER | ASN | GLY | GLU | THR | MET | PHE | SER | SER | ||||
| 6 | GLU | GLY | TYR | LYS | ALA | LYS | ALA | SER | ALA | ILE | ||||
| 7 | HIS | ALA | ILE | GLU | SER | ILE | LYS | ARG | ASN | SER | ||||
| 8 | ALA | GLY | ALA | ASP | THR | VAL | ASP | LEU | THR | THR | ||||
| 9 | MET | THR | ALA |
Samples:
sample_1: Atc0223, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 500 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; Benzamidine 10 mM; H2O 90%; D20 10%
sample_2: Atc0223, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 500 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; Benzamidine 10 mM; D20 100%
sample_conditions_1: ionic strength: 500 mM; pH: 7.7; 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 (H)C(CO)NH_TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH_TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(C)CH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C_arom NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC(IPAP) | sample_1 | anisotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
FMC, Lemak, Steren, Llinas, Arrowsmith - resonance assignment
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:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| GB | AAK86048 EGL66960 KEY54649 KJX89794 |
| REF | NP_353263 WP_006310075 WP_010970746 |
| SP | Q8UIR1 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts