BMRB Entry 17095
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17095
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Citation: Garrett, Daniel; Seok, Yeong-Jae; Peterkofsky, Alan; Clore, G.; Gronenborn, Angela. "Identification by NMR of the Binding Surface for the Histidine-Containing Phosphocarrier Protein HPr on the N-Terminal Domain of Enzyme I of the Escherichia coli Phosphotransferase System" Biochemistry 36, 4393-4398 (1997).
PubMed: 9109646
Assembly members:
EIN, polymer, 259 residues, Formula weight is not available
HPr, polymer, 85 residues, Formula weight is not available
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 Vector: pLP2
Entity Sequences (FASTA):
EIN: MISGILASPGIAFGKALLLK
EDEIVIDRKKISADQVDQEV
ERFLSGRAKASAQLETIKTK
AGETFGEEKEAIFEGHIMLL
EDEELEQEIIALIKDKHMTA
DAAAHEVIEGQASALEELDD
EYLKERAADVRDIGKRLLRN
ILGLKIIDLSAIQDEVILVA
ADLTPSETAQLNLKKVLGFI
TDAGGRTSHTSIMARSLELP
AIVGTGSVTSQVKNDDYLIL
DAVNNQVYVNPTNEVIDKMR
AVQEQVASEKAELAKLKDR
HPr: MFQQEVTITAPNGLHTRPAA
QFVKEAKGFTSEITVTSNGK
SASAKSLFKLQTLGLTQGTV
VTISAEGEDEQKAVEHLVKL
MAELE
- chemical_rates
| Data type | Count |
| binding constants | 1 |
| kinetic rates | 2 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EIN | 1 |
| 2 | HPr | 2 |
Entities:
Entity 1, EIN 259 residues - Formula weight is not available
| 1 | MET | ILE | SER | GLY | ILE | LEU | ALA | SER | PRO | GLY | ||||
| 2 | ILE | ALA | PHE | GLY | LYS | ALA | LEU | LEU | LEU | LYS | ||||
| 3 | GLU | ASP | GLU | ILE | VAL | ILE | ASP | ARG | LYS | LYS | ||||
| 4 | ILE | SER | ALA | ASP | GLN | VAL | ASP | GLN | GLU | VAL | ||||
| 5 | GLU | ARG | PHE | LEU | SER | GLY | ARG | ALA | LYS | ALA | ||||
| 6 | SER | ALA | GLN | LEU | GLU | THR | ILE | LYS | THR | LYS | ||||
| 7 | ALA | GLY | GLU | THR | PHE | GLY | GLU | GLU | LYS | GLU | ||||
| 8 | ALA | ILE | PHE | GLU | GLY | HIS | ILE | MET | LEU | LEU | ||||
| 9 | GLU | ASP | GLU | GLU | LEU | GLU | GLN | GLU | ILE | ILE | ||||
| 10 | ALA | LEU | ILE | LYS | ASP | LYS | HIS | MET | THR | ALA | ||||
| 11 | ASP | ALA | ALA | ALA | HIS | GLU | VAL | ILE | GLU | GLY | ||||
| 12 | GLN | ALA | SER | ALA | LEU | GLU | GLU | LEU | ASP | ASP | ||||
| 13 | GLU | TYR | LEU | LYS | GLU | ARG | ALA | ALA | ASP | VAL | ||||
| 14 | ARG | ASP | ILE | GLY | LYS | ARG | LEU | LEU | ARG | ASN | ||||
| 15 | ILE | LEU | GLY | LEU | LYS | ILE | ILE | ASP | LEU | SER | ||||
| 16 | ALA | ILE | GLN | ASP | GLU | VAL | ILE | LEU | VAL | ALA | ||||
| 17 | ALA | ASP | LEU | THR | PRO | SER | GLU | THR | ALA | GLN | ||||
| 18 | LEU | ASN | LEU | LYS | LYS | VAL | LEU | GLY | PHE | ILE | ||||
| 19 | THR | ASP | ALA | GLY | GLY | ARG | THR | SER | HIS | THR | ||||
| 20 | SER | ILE | MET | ALA | ARG | SER | LEU | GLU | LEU | PRO | ||||
| 21 | ALA | ILE | VAL | GLY | THR | GLY | SER | VAL | THR | SER | ||||
| 22 | GLN | VAL | LYS | ASN | ASP | ASP | TYR | LEU | ILE | LEU | ||||
| 23 | ASP | ALA | VAL | ASN | ASN | GLN | VAL | TYR | VAL | ASN | ||||
| 24 | PRO | THR | ASN | GLU | VAL | ILE | ASP | LYS | MET | ARG | ||||
| 25 | ALA | VAL | GLN | GLU | GLN | VAL | ALA | SER | GLU | LYS | ||||
| 26 | ALA | GLU | LEU | ALA | LYS | LEU | LYS | ASP | ARG |
Entity 2, HPr 85 residues - Formula weight is not available
| 1 | MET | PHE | GLN | GLN | GLU | VAL | THR | ILE | THR | ALA | ||||
| 2 | PRO | ASN | GLY | LEU | HIS | THR | ARG | PRO | ALA | ALA | ||||
| 3 | GLN | PHE | VAL | LYS | GLU | ALA | LYS | GLY | PHE | THR | ||||
| 4 | SER | GLU | ILE | THR | VAL | THR | SER | ASN | GLY | LYS | ||||
| 5 | SER | ALA | SER | ALA | LYS | SER | LEU | PHE | LYS | LEU | ||||
| 6 | GLN | THR | LEU | GLY | LEU | THR | GLN | GLY | THR | VAL | ||||
| 7 | VAL | THR | ILE | SER | ALA | GLU | GLY | GLU | ASP | GLU | ||||
| 8 | GLN | LYS | ALA | VAL | GLU | HIS | LEU | VAL | LYS | LEU | ||||
| 9 | MET | ALA | GLU | LEU | GLU |
Samples:
sample_1: EIN, [U-15N], 1 mM; HPr, [U-15N], 1.6 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%
sample_2: EIN, [U-15N], 1 mM; sodium phospahte 20 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.1; pressure: 1 atm; temperature: 313 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PIPP, Garrett - data analysis
CAPP, Garrett - data analysis
STAPP, (Garrett et al., 1991) - data analysis
FRODO, (Jones, 1978) - docking study
GRASP, (Nicholls et al., 1991) - docking study
RIBBONS, (Carson, 1987) - visualization
NMR spectrometers:
- Bruker DMX 600 MHz
Related Database Links:
| BMRB | 19958 25731 4106 4264 17274 18379 2060 2371 29 4264 |
| PDB | |
| DBJ | BAA16290 BAB36711 BAG78231 BAI26669 BAI31701 BAA16289 BAB36710 BAB92987 BAG78230 BAH64556 |
| EMBL | CAP76888 CAQ32794 CAQ88296 CAQ99314 CAR03878 CAA32865 CAA35818 CAD07663 CAG73805 CAH21953 |
| GB | AAA24385 AAA24441 AAC75469 AAG57535 AAN43978 AAA23655 AAA24384 AAA24438 AAA24440 AAA27052 |
| REF | NP_311315 NP_416911 NP_708271 WP_000112669 WP_000328837 NP_288977 NP_311314 NP_416910 NP_456968 NP_461366 |
| SP | P08839 P0AA04 P0AA05 P0AA06 P0AA07 P0AA08 |
| PIR | AE0810 |
| PRF | 1107231B |
| AlphaFold | P08839 P0AA04 P0AA05 P0AA06 P0AA07 P0AA08 |