BMRB Entry 16492
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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/BMR16492
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Title: The Structure of Anti-TRAP PubMed: 20713740
Deposition date: 2009-09-12 Original release date: 2010-10-18
Authors: McElroy, Craig; Gollnick, Paul; Foster, Mark
Citation: Sachleben, Joseph; McElroy, Craig; Gollnick, Paul; Foster, Mark. "Mechanism for pH-dependent gene regulation by amino-terminus-mediated homooligomerization of Bacillus subtilis anti-trp RNA-binding attenuation protein." Proc. Natl. Acad. Sci. U.S.A. 107, 15385-15390 (2010).
Assembly members:
Anti-TRAP, polymer, 53 residues, 5683.610 Da.
ZN, non-polymer, 65.409 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):
Anti-TRAP: XVIATDDLEVACPKCERAGE
IEGTPCPACSGKGVILTAQG
YTLLDFIQKHLNK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 223 |
| 15N chemical shifts | 53 |
| 1H chemical shifts | 352 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity_1_1 | 1 |
| 2 | entity_1_2 | 1 |
| 3 | entity_1_3 | 1 |
| 4 | ZINC ION ON 3-FOLD CRYSTAL AXIS_1 | 2 |
| 5 | ZINC ION ON 3-FOLD CRYSTAL AXIS_2 | 2 |
| 6 | ZINC ION ON 3-FOLD CRYSTAL AXIS_3 | 2 |
Entities:
Entity 1, entity_1_1 53 residues - 5683.610 Da.
| 1 | FME | VAL | ILE | ALA | THR | ASP | ASP | LEU | GLU | VAL | ||||
| 2 | ALA | CYS | PRO | LYS | CYS | GLU | ARG | ALA | GLY | GLU | ||||
| 3 | ILE | GLU | GLY | THR | PRO | CYS | PRO | ALA | CYS | SER | ||||
| 4 | GLY | LYS | GLY | VAL | ILE | LEU | THR | ALA | GLN | GLY | ||||
| 5 | TYR | THR | LEU | LEU | ASP | PHE | ILE | GLN | LYS | HIS | ||||
| 6 | LEU | ASN | LYS |
Entity 2, ZINC ION ON 3-FOLD CRYSTAL AXIS_1 - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: entity_1, [U-13C; U-15N], 5 – 10 mM; TRIS, [U-2H], 20 mM; beta-mercaptoethanol 20 mM; ZnCl2 1 mM; H2O 90%; D2O 10%
sample_2: entity_1, [U-13C; U-15N], 5 – 10 mM; TRIS, [U-2H], 20 mM; beta-mercaptoethanol 20 mM; ZnCl2 1 mM; D2O 100%
sample_conditions_1: ionic strength: 20 mM; pH: 7.5; pressure: 1 atm; temperature: 328 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHB | sample_1 | isotropic | sample_conditions_1 |
| 3D HACAHB-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N/13C TIME-SHARED NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D HCCH-COSY AROMATIC | sample_2 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC AROMATIC | sample_2 | isotropic | sample_conditions_1 |
| 2D IPAP | sample_1 | isotropic | sample_conditions_1 |
| 2D 15N HETERONUCLEAR NOE | sample_1 | isotropic | sample_conditions_1 |
| 2D 15N HETERONUCLEAR T2 | sample_1 | isotropic | sample_conditions_1 |
| 2D 15N HETERONUCLEAR T1 | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - data analysis
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
ARIA, Linge, O, . - refinement
NMR spectrometers:
- Bruker DRX 800 MHz
- Bruker DRX 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAI83705 BAM49183 BAM56453 GAK80258 |
| EMBL | CAB12047 CCU56704 CEI55371 CEJ75796 CJR84280 |
| GB | ADV95181 AEP89314 AFI26795 AFQ56187 AGA22564 |
| REF | NP_388135 WP_003234807 WP_014662639 WP_015382665 WP_015715179 |
| SP | O31466 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts