BMRB Entry 18939
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18939
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Title: Solution Structure of C-terminal AbrB
Deposition date: 2013-01-04 Original release date: 2013-01-24
Authors: Olson, Andrew; Tucker, Ashley; Cavanagh, John
Citation: Olson, Andrew. "Structure of Full Length AbrB from Bacillus Subtilis" Structure ., .-..
Assembly members:
C-terminal AbrB, chain 1, polymer, 46 residues, 4996.743 Da.
Natural source: Common Name: Bacillus subtilis Taxonomy ID: 1423 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacillus subtilis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
C-terminal AbrB, chain 1: MNCMTCQVTGEVSDDNLKLA
GGKLVLSKEGAEQIISEIQN
QLQNLK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 168 |
| 15N chemical shifts | 43 |
| 1H chemical shifts | 277 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | C-terminal AbrB, chain 1 | 1 |
| 2 | C-terminal AbrB, chain 2 | 1 |
Entities:
Entity 1, C-terminal AbrB, chain 1 46 residues - 4996.743 Da.
| 1 | MET | ASN | CYS | MET | THR | CYS | GLN | VAL | THR | GLY | ||||
| 2 | GLU | VAL | SER | ASP | ASP | ASN | LEU | LYS | LEU | ALA | ||||
| 3 | GLY | GLY | LYS | LEU | VAL | LEU | SER | LYS | GLU | GLY | ||||
| 4 | ALA | GLU | GLN | ILE | ILE | SER | GLU | ILE | GLN | ASN | ||||
| 5 | GLN | LEU | GLN | ASN | LEU | LYS |
Samples:
water: potassium phosphate 10 mM; DTT 1 mM; potassium chloride 15 mM; EDTA 1 mM; D2O 10%; H2O 90%; C-term_AbrB 1 mM
d20: DTT 1 mM; potassium phosphate 10 mM; potassium chloride 15 mM; EDTA 1 mM; D2O 100%; C-term_AbrB 1 mM
sample_conditions_1: ionic strength: 0.015 M; pH: 7.0; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | water | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | water | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | water | isotropic | sample_conditions_1 |
| 3D C(CO)NH | water | isotropic | sample_conditions_1 |
| 3D HNCO | water | isotropic | sample_conditions_1 |
| 3D HNCACB | water | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | water | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | d20 | isotropic | sample_conditions_1 |
| 3D HNHA | water | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | water | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | d20 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | d20 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, data analysis
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
NMR spectrometers:
- Bruker Avance 700 MHz
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAA05272 BAI83483 BAM48968 BAM56238 GAK78652 |
| EMBL | CAA31307 CAA43955 CAB11813 CBI41163 CCF03572 |
| GB | AAA22195 ABS72486 ACB37468 ADM36096 ADV94967 |
| PRF | 1715209A |
| REF | NP_387918 WP_003218316 WP_003226760 WP_004264711 WP_014469596 |
| SP | P08874 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts