BMRB Entry 16947
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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/BMR16947
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Title: Backbone structure of the membrane domain of E. coli histidine kinase receptor ArcB PubMed: 20498088
Deposition date: 2010-05-24 Original release date: 2010-06-15
Authors: Maslennikov, Innokentiy; Klammt, Christian; Hwang, Eunha; Kefala, Georgia; Kwiatkowski, Witek; Jeon, Young Ho; Choe, Senyon
Citation: Maslennikov, Innokentiy; Klammt, Christian; Hwang, Eunha; Kefala, Georgia; Okamura, Mizuki; Esquivies, Luis; Mors, Karsten; Glaubitz, Clemens; Kwiatkowski, Witek; Jeon, Young Ho; Choe, Senyon. "Membrane domain structures of three classes of histidine kinase receptors by cell-free expression and rapid NMR analysis." Proc. Natl. Acad. Sci. U.S.A. 107, 10902-10907 (2010).
Assembly members:
ArcB, polymer, 115 residues, 8483.369 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: cell free synthesis Host organism: E. coli - cell free
Entity Sequences (FASTA):
ArcB: MKQIRLLAQYYVDLMMKLGL
VRFSMLLALALVVLAIVVQM
AVTMVLHGQVESIDVIRSIF
FGLLITPWAVYFLSVVVEQL
EESRQRLSRLVQKLEEMRER
DLSLNVQLKDNIAQL
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 317 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 491 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ArcB | 1 |
Entities:
Entity 1, ArcB 115 residues - 8483.369 Da.
The membrane domain of ArcB
| 1 | MET | LYS | GLN | ILE | ARG | LEU | LEU | ALA | GLN | TYR | ||||
| 2 | TYR | VAL | ASP | LEU | MET | MET | LYS | LEU | GLY | LEU | ||||
| 3 | VAL | ARG | PHE | SER | MET | LEU | LEU | ALA | LEU | ALA | ||||
| 4 | LEU | VAL | VAL | LEU | ALA | ILE | VAL | VAL | GLN | MET | ||||
| 5 | ALA | VAL | THR | MET | VAL | LEU | HIS | GLY | GLN | VAL | ||||
| 6 | GLU | SER | ILE | ASP | VAL | ILE | ARG | SER | ILE | PHE | ||||
| 7 | PHE | GLY | LEU | LEU | ILE | THR | PRO | TRP | ALA | VAL | ||||
| 8 | TYR | PHE | LEU | SER | VAL | VAL | VAL | GLU | GLN | LEU | ||||
| 9 | GLU | GLU | SER | ARG | GLN | ARG | LEU | SER | ARG | LEU | ||||
| 10 | VAL | GLN | LYS | LEU | GLU | GLU | MET | ARG | GLU | ARG | ||||
| 11 | ASP | LEU | SER | LEU | ASN | VAL | GLN | LEU | LYS | ASP | ||||
| 12 | ASN | ILE | ALA | GLN | LEU |
Samples:
sample_EC: DSS 0.5 mM; sodium acetate 20 mM; 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] 200 mM; sodium chloride 10 mM; Protein, [U-98% 13C; U-98% 15N], 0.5 mM; H2O 95%; D2O 5%
sample_CF: DSS 0.5 mM; 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)] 100 mM; Mes-BisTris 20 mM; Protein, [U-99% 13C; U-99% 15N], 0.3 mM; H2O 95%; D2O 5%
sample_conditions_EC: pH: 5.5; pressure: 1 atm; temperature: 318 K
sample_conditions_CF: pH: 5.5; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_EC | isotropic | sample_conditions_EC |
| 2D 1H-15N HSQC | sample_CF | isotropic | sample_conditions_CF |
| 3D 1H-15N NOESY | sample_EC | isotropic | sample_conditions_EC |
| 3D 1H-15N NOESY | sample_CF | isotropic | sample_conditions_CF |
| 3D HNCA | sample_CF | isotropic | sample_conditions_CF |
| 3D HNCO | sample_CF | isotropic | sample_conditions_CF |
| 3D HNCACB | sample_CF | isotropic | sample_conditions_CF |
| 3D HN(CO)CA | sample_CF | isotropic | sample_conditions_CF |
| 3D HN(CA)CO | sample_CF | isotropic | sample_conditions_CF |
Software:
CYANA v1.0.6, Guntert, Mumenthaler and Wuthrich - structure solution
TOPSPIN v2.1, Bruker Biospin - collection
CARA v1.8.4, Keller and Wuthrich - data analysis, peak picking
Molmol v2K.2, Koradi, Billeter and Wuthrich - structure visualization and analysis
NMR spectrometers:
- Bruker Avance 900 MHz
- Bruker Avance 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAB37512 BAE77254 BAG79018 BAH65394 BAI27488 |
| EMBL | CAA37397 CAD07845 CAP77670 CAQ33543 CAQ90680 |
| GB | AAA58012 AAG58344 AAL22197 AAN44715 AAN82410 |
| PIR | AG0906 |
| REF | NP_312116 NP_457707 NP_462238 NP_709008 WP_000809745 |
| SP | P0AEC3 P0AEC4 P58363 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts