BMRB Entry 19242
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19242
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Title: The solution NMR structure of E. coli apo-HisJ PubMed: 24036119
Deposition date: 2013-05-15 Original release date: 2013-09-30
Authors: Chu, Byron; Vogel, Hans
Citation: Chu, Byron; Dewolf, Timothy; Vogel, Hans. "Role of the Two Structural Domains from the Periplasmic Escherichia coli Histidine-binding Protein HisJ." J. Biol. Chem. 288, 31409-31422 (2013).
Assembly members:
apo-HisJ, polymer, 241 residues, 26264.783 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
apo-HisJ: GGMAIPQNIRIGTDPTYAPF
ESKNSQGELVGFDIDLAKEL
CKRINTQCTFVENPLDALIP
SLKAKKIDAIMSSLSITEKR
QQEIAFTDKLYAADSRLVVA
KNSDIQPTVESLKGKRVGVL
QGTTQETFGNEHWAPKGIEI
VSYQGQDNIYSDLTAGRIDA
AFQDEVAASEGFLKQPVGKD
YKFGGPSVKDEKLFGVGTGM
GLRKEDNELREALNKAFAEM
RADGTYEKLAKKYFDFDVYG
G
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 697 |
| 15N chemical shifts | 229 |
| 1H chemical shifts | 229 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | apo-HisJ | 1 |
Entities:
Entity 1, apo-HisJ 241 residues - 26264.783 Da.
| 1 | GLY | GLY | MET | ALA | ILE | PRO | GLN | ASN | ILE | ARG | ||||
| 2 | ILE | GLY | THR | ASP | PRO | THR | TYR | ALA | PRO | PHE | ||||
| 3 | GLU | SER | LYS | ASN | SER | GLN | GLY | GLU | LEU | VAL | ||||
| 4 | GLY | PHE | ASP | ILE | ASP | LEU | ALA | LYS | GLU | LEU | ||||
| 5 | CYS | LYS | ARG | ILE | ASN | THR | GLN | CYS | THR | PHE | ||||
| 6 | VAL | GLU | ASN | PRO | LEU | ASP | ALA | LEU | ILE | PRO | ||||
| 7 | SER | LEU | LYS | ALA | LYS | LYS | ILE | ASP | ALA | ILE | ||||
| 8 | MET | SER | SER | LEU | SER | ILE | THR | GLU | LYS | ARG | ||||
| 9 | GLN | GLN | GLU | ILE | ALA | PHE | THR | ASP | LYS | LEU | ||||
| 10 | TYR | ALA | ALA | ASP | SER | ARG | LEU | VAL | VAL | ALA | ||||
| 11 | LYS | ASN | SER | ASP | ILE | GLN | PRO | THR | VAL | GLU | ||||
| 12 | SER | LEU | LYS | GLY | LYS | ARG | VAL | GLY | VAL | LEU | ||||
| 13 | GLN | GLY | THR | THR | GLN | GLU | THR | PHE | GLY | ASN | ||||
| 14 | GLU | HIS | TRP | ALA | PRO | LYS | GLY | ILE | GLU | ILE | ||||
| 15 | VAL | SER | TYR | GLN | GLY | GLN | ASP | ASN | ILE | TYR | ||||
| 16 | SER | ASP | LEU | THR | ALA | GLY | ARG | ILE | ASP | ALA | ||||
| 17 | ALA | PHE | GLN | ASP | GLU | VAL | ALA | ALA | SER | GLU | ||||
| 18 | GLY | PHE | LEU | LYS | GLN | PRO | VAL | GLY | LYS | ASP | ||||
| 19 | TYR | LYS | PHE | GLY | GLY | PRO | SER | VAL | LYS | ASP | ||||
| 20 | GLU | LYS | LEU | PHE | GLY | VAL | GLY | THR | GLY | MET | ||||
| 21 | GLY | LEU | ARG | LYS | GLU | ASP | ASN | GLU | LEU | ARG | ||||
| 22 | GLU | ALA | LEU | ASN | LYS | ALA | PHE | ALA | GLU | MET | ||||
| 23 | ARG | ALA | ASP | GLY | THR | TYR | GLU | LYS | LEU | ALA | ||||
| 24 | LYS | LYS | TYR | PHE | ASP | PHE | ASP | VAL | TYR | GLY | ||||
| 25 | GLY |
Samples:
sample_1: apo-HisJ, [U-13C; U-15N; U-2H], 1 mM; sodium phosphate 50 mM; D2O 10%; H2O 90%; DSS 0.5 mM
sample_2: apo-HisJ, [U-13C; U-15N], 1 mM; sodium phosphate 50 mM; D2O 10%; H2O 90%; DSS 0.5 mM
sample_3: apo-HisJ, [U-13C; U-15N], 1 mM; sodium phosphate 50 mM; D2O 100%; DSS 0.5 mM
sample_conditions_1: ionic strength: 0 M; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 16204 16205 19245 |
| PDB | |
| DBJ | BAA16155 BAB36616 BAG66608 BAG78142 BAI26504 |
| EMBL | CAA24658 CAA24659 CAD07586 CAJ55342 CAJ55343 |
| GB | AAA75578 AAA85769 AAC75369 AAG57438 AAL21255 |
| PIR | AH0800 |
| PRF | 0809313B |
| REF | NP_311220 NP_416812 NP_456896 NP_461296 NP_708191 |
| SP | P02910 P0AEU0 P0AEU1 P0AEU2 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts