BMRB Entry 15585
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15585
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Title: Solution structure of protein ATU1810 from Agrobacterium tumefaciens; Northeast Structural Genomics Target AtR23; Ontario Center for Structural Proteomics Target ATC1776
Deposition date: 2007-12-07 Original release date: 2009-04-23
Authors: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Karra, Murphy; Semesi, Antony; Arrowsmith, Cheryl
Citation: Lemak, Alexander; Yee, Adelinda; Gutmanas, Aleksandras; Fares, Christophe; Karra, Murphy; Semesi, Antony; Arrowsmith, Cheryl. "Solution structure of protein ATU1810 form Agrobacterium tumefaciens" . ., .-..
Assembly members:
Atu1810, polymer, 106 residues, 9116.552 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):
Atu1810: QGHMSAKIYRPAKTAMQSGT
AKTNVWVLEFDAEVPRKIDP
IMGYTSSSDMKQQVKLTFET
QEQAEAYAQRKGIEYRVILP
KEATRKVVSYTDNFRFNRTQ
PWTHGS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 416 |
| 15N chemical shifts | 100 |
| 1H chemical shifts | 669 |
| residual dipolar couplings | 71 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Atu1810 | 1 |
Entities:
Entity 1, Atu1810 106 residues - 9116.552 Da.
| 1 | GLN | GLY | HIS | MET | SER | ALA | LYS | ILE | TYR | ARG | ||||
| 2 | PRO | ALA | LYS | THR | ALA | MET | GLN | SER | GLY | THR | ||||
| 3 | ALA | LYS | THR | ASN | VAL | TRP | VAL | LEU | GLU | PHE | ||||
| 4 | ASP | ALA | GLU | VAL | PRO | ARG | LYS | ILE | ASP | PRO | ||||
| 5 | ILE | MET | GLY | TYR | THR | SER | SER | SER | ASP | MET | ||||
| 6 | LYS | GLN | GLN | VAL | LYS | LEU | THR | PHE | GLU | THR | ||||
| 7 | GLN | GLU | GLN | ALA | GLU | ALA | TYR | ALA | GLN | ARG | ||||
| 8 | LYS | GLY | ILE | GLU | TYR | ARG | VAL | ILE | LEU | PRO | ||||
| 9 | LYS | GLU | ALA | THR | ARG | LYS | VAL | VAL | SER | TYR | ||||
| 10 | THR | ASP | ASN | PHE | ARG | PHE | ASN | ARG | THR | GLN | ||||
| 11 | PRO | TRP | THR | HIS | GLY | SER |
Samples:
sample_1: Atu1810, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 10 mM; D2O, [U-100% 2H], 10%; H2O 90%
sample_2: Atu1810, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 10 mM; D2O, [U-100% 2H], 100%
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; 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_2 | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)C(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-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_aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY_aromatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC(IPAP) | sample_1 | anisotropic | sample_conditions_1 |
| 3D TROSY-HNCO | sample_1 | anisotropic | sample_conditions_1 |
Software:
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution
SPARKY, Goddard - peak picking
TALOS, Cornilescu, Delaglio and Bax - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz
- Bruker Avance 800 MHz
- Bruker Avance 500 MHz
Related Database Links:
| PDB | |
| EMBL | CDI08717 CDN94390 |
| GB | AAK87578 ADY64758 AHK01663 AKC07510 EGL63649 |
| REF | NP_354793 WP_003495468 WP_003507982 WP_004442361 WP_006314275 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts