BMRB Entry 19958
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19958
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Title: Protein Phosphorylation upon a Fleeting Encounter
Deposition date: 1998-02-06 Original release date: 2014-08-25
Authors: Xing, Qiong; Yang, Ju; Huang, Peng; Zhang, Weiping; Tang, Chun
Citation: Xing, Qiong; Ju, Yang; Huang, Peng; Zhang, Weiping; Tang, Chun. "Protein Phosphorylation upon a Fleeting Encounter" Nature ., .-..
Assembly members:
N-terminal_Domain_of_Enzyme_I, polymer, 259 residues, 28359 Da.
EIN_EIIAGlc, polymer, 168 residues, Formula weight is not available
PHOSPHITE ION, non-polymer, 78.972 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):
N-terminal_Domain_of_Enzyme_I: MISGILASPGIAFGKALLLK
EDEIVIDRKKISADQVDQEV
ERFLSGRAKASAQLETIKTK
AGETFGEEKEAIFEGHIMLL
EDEELEQEIIALIKDKHMTA
DAAAHEVIEGQASALEELDD
EYLKERAADVRDIGKRLLRN
ILGLKIIDLSAIQDEVILVA
ADLTPSETAQLNLKKVLGFI
TDAGGRTSHTSIMARSLELP
AIVGTGSVTSQVKNDDYLIL
DAVNNQVYVNPTNEVIDKMR
AVQEQVASEKAELAKLKDR
EIN_EIIAGlc: GLFDKLKSLVSDDKKDTGTI
EIIAPLSGEIVNIEDVPDVV
FAEKIVGDGIAIKPTGNKMV
APVDGTIGKIFETNHAFSIE
SDSGVELFVHFGIDTVELKG
EGFKRIAEEGQRVKVGDTVI
EFDLPLLEEKAKSTLTPVVI
SNMDEIKELIKLSGSVTVGE
TPVIRIKK
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 279 |
| 1H chemical shifts | 137 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Phosphotransferase system, enzyme I | 1 |
| 2 | EIIA-Glc, EIII-Glc, PTS system glucose-specific EIIA component | 2 |
| 3 | Phosphite Ion | 3 |
Entities:
Entity 1, Phosphotransferase system, enzyme I 259 residues - 28359 Da.
| 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, EIIA-Glc, EIII-Glc, PTS system glucose-specific EIIA component 168 residues - Formula weight is not available
| 1 | GLY | LEU | PHE | ASP | LYS | LEU | LYS | SER | LEU | VAL | ||||
| 2 | SER | ASP | ASP | LYS | LYS | ASP | THR | GLY | THR | ILE | ||||
| 3 | GLU | ILE | ILE | ALA | PRO | LEU | SER | GLY | GLU | ILE | ||||
| 4 | VAL | ASN | ILE | GLU | ASP | VAL | PRO | ASP | VAL | VAL | ||||
| 5 | PHE | ALA | GLU | LYS | ILE | VAL | GLY | ASP | GLY | ILE | ||||
| 6 | ALA | ILE | LYS | PRO | THR | GLY | ASN | LYS | MET | VAL | ||||
| 7 | ALA | PRO | VAL | ASP | GLY | THR | ILE | GLY | LYS | ILE | ||||
| 8 | PHE | GLU | THR | ASN | HIS | ALA | PHE | SER | ILE | GLU | ||||
| 9 | SER | ASP | SER | GLY | VAL | GLU | LEU | PHE | VAL | HIS | ||||
| 10 | PHE | GLY | ILE | ASP | THR | VAL | GLU | LEU | LYS | GLY | ||||
| 11 | GLU | GLY | PHE | LYS | ARG | ILE | ALA | GLU | GLU | GLY | ||||
| 12 | GLN | ARG | VAL | LYS | VAL | GLY | ASP | THR | VAL | ILE | ||||
| 13 | GLU | PHE | ASP | LEU | PRO | LEU | LEU | GLU | GLU | LYS | ||||
| 14 | ALA | LYS | SER | THR | LEU | THR | PRO | VAL | VAL | ILE | ||||
| 15 | SER | ASN | MET | ASP | GLU | ILE | LYS | GLU | LEU | ILE | ||||
| 16 | LYS | LEU | SER | GLY | SER | VAL | THR | VAL | GLY | GLU | ||||
| 17 | THR | PRO | VAL | ILE | ARG | ILE | LYS | LYS |
Entity 3, Phosphite Ion - O3 P - 78.972 Da.
| 1 | PO3 |
Samples:
sample_DCN: N-terminal Domain of Enzyme I, [U-99% 15N], 0.5 mM; Enzyme II of Glucose, [U-99% 15N], 0.5 mM; H2O 90%; D2O 10%
sample_HN: N-terminal Domain of Enzyme I, [U-100% 1H; U-100% 12C; U-99%1 5N], 1 – 14 mM; EIN EIIAGlc, [U-99% 15N], 1 – 14 mM; EIN1 – 14 mM; H2O 90%; D2O 10%
sample_DN: N-terminal Domain of Enzyme I, [U-100% 2H; U-100% 12C; U-99% 15N], 1.4-1.5 mM; H2O 90%; D2O 10%
sample_conditions_one: pH: 7.4 na; temperature: 313.4 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_HN | isotropic | sample_conditions_one |
| 2D 1H-15N HSQC | sample_DN | isotropic | sample_conditions_one |
Software:
PIPP v3.5.6 to 3.9.9, Delaglio, Zhengrong and Bax - chemical shift assignment, data analysis
nmrPipe v1.x, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - peak picking
NMR spectrometers:
- Bruker Avance 800 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 17095 |
| PDB | |
| DBJ | BAA16290 BAB36711 BAG78231 BAI26669 BAI31701 |
| EMBL | CAP76888 CAQ32794 CAQ88296 CAQ99314 CAR03878 |
| GB | AAA24385 AAA24441 AAC75469 AAG57535 AAN43978 |
| REF | NP_288978 NP_311315 NP_416911 NP_708271 NP_754833 |
| SP | P08839 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts