BMRB Entry 16337
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR16337
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Title: Backbone resonance assignments for the aminoglycoside phosphotransferase(3')-IIIa PubMed: 19898995
Deposition date: 2009-06-08 Original release date: 2009-11-18
Authors: Ozen, Can; Norris, Adrianne; Whittemore, Neil; Steren, Carlos
Citation: Serpersu, Engin; Ozen, Can; Norris, Adrianne; Steren, Carlos; Whittemore, Neil. "Backbone resonance assignments of a promiscuous aminoglycoside antibiotic resistance enzyme; the aminoglycoside phosphotransferase(3')-IIIa." Biomol. NMR Assignments 4, 9-12 (2010).
Assembly members:
APH-tobramycin, polymer, 264 residues, 30.974 Da.
TOY, non-polymer, 467.514 Da.
Natural source: Common Name: Streptococcus faecalis Taxonomy ID: 1351 Superkingdom: Bacteria Kingdom: not available Genus/species: Enterococcus faecalis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
APH-tobramycin: MAKMRISPELKKLIEKYRCV
KDTEGMSPAKVYKLVGENEN
LYLKMTDSRYKGTTYDVERE
KDMMLWLEGKLPVPKVLHFE
RHDGWSNLLMSEADGVLCSE
EYEDEQSPEKIIELYAECIR
LFHSIDISDCPYTNSLDSRL
AELDYLLNNDLADVDCENWE
EDTPFKDPRELYDFLKTEKP
EEELVFSHGDLGDSNIFVKD
GKVSGFIDLGRSGRADKWYD
IAFCVRSIREDIGEEQYVEL
FFDLLGIKPDWEKIKYYILL
DELF
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 631 |
| 15N chemical shifts | 215 |
| 1H chemical shifts | 217 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | enzyme | 1 |
| 2 | tobramycin | 2 |
Entities:
Entity 1, enzyme 264 residues - 30.974 Da.
| 1 | MET | ALA | LYS | MET | ARG | ILE | SER | PRO | GLU | LEU | ||||
| 2 | LYS | LYS | LEU | ILE | GLU | LYS | TYR | ARG | CYS | VAL | ||||
| 3 | LYS | ASP | THR | GLU | GLY | MET | SER | PRO | ALA | LYS | ||||
| 4 | VAL | TYR | LYS | LEU | VAL | GLY | GLU | ASN | GLU | ASN | ||||
| 5 | LEU | TYR | LEU | LYS | MET | THR | ASP | SER | ARG | TYR | ||||
| 6 | LYS | GLY | THR | THR | TYR | ASP | VAL | GLU | ARG | GLU | ||||
| 7 | LYS | ASP | MET | MET | LEU | TRP | LEU | GLU | GLY | LYS | ||||
| 8 | LEU | PRO | VAL | PRO | LYS | VAL | LEU | HIS | PHE | GLU | ||||
| 9 | ARG | HIS | ASP | GLY | TRP | SER | ASN | LEU | LEU | MET | ||||
| 10 | SER | GLU | ALA | ASP | GLY | VAL | LEU | CYS | SER | GLU | ||||
| 11 | GLU | TYR | GLU | ASP | GLU | GLN | SER | PRO | GLU | LYS | ||||
| 12 | ILE | ILE | GLU | LEU | TYR | ALA | GLU | CYS | ILE | ARG | ||||
| 13 | LEU | PHE | HIS | SER | ILE | ASP | ILE | SER | ASP | CYS | ||||
| 14 | PRO | TYR | THR | ASN | SER | LEU | ASP | SER | ARG | LEU | ||||
| 15 | ALA | GLU | LEU | ASP | TYR | LEU | LEU | ASN | ASN | ASP | ||||
| 16 | LEU | ALA | ASP | VAL | ASP | CYS | GLU | ASN | TRP | GLU | ||||
| 17 | GLU | ASP | THR | PRO | PHE | LYS | ASP | PRO | ARG | GLU | ||||
| 18 | LEU | TYR | ASP | PHE | LEU | LYS | THR | GLU | LYS | PRO | ||||
| 19 | GLU | GLU | GLU | LEU | VAL | PHE | SER | HIS | GLY | ASP | ||||
| 20 | LEU | GLY | ASP | SER | ASN | ILE | PHE | VAL | LYS | ASP | ||||
| 21 | GLY | LYS | VAL | SER | GLY | PHE | ILE | ASP | LEU | GLY | ||||
| 22 | ARG | SER | GLY | ARG | ALA | ASP | LYS | TRP | TYR | ASP | ||||
| 23 | ILE | ALA | PHE | CYS | VAL | ARG | SER | ILE | ARG | GLU | ||||
| 24 | ASP | ILE | GLY | GLU | GLU | GLN | TYR | VAL | GLU | LEU | ||||
| 25 | PHE | PHE | ASP | LEU | LEU | GLY | ILE | LYS | PRO | ASP | ||||
| 26 | TRP | GLU | LYS | ILE | LYS | TYR | TYR | ILE | LEU | LEU | ||||
| 27 | ASP | GLU | LEU | PHE |
Entity 2, tobramycin - C18 H37 N5 O9 - 467.514 Da.
| 1 | TOY |
Samples:
sample_1: APH-tobramycin, [U-13C; U-15N; U-2H], 250 uM; Tris-HCl 25 mM; sodium chloride 50 mM; DTT 1 mM; H2O 93%; D2O 7%
sample_conditions_1: ionic strength: 50 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView v5, Johnson, One Moon Scientific - data analysis
NMR spectrometers:
- Varian DMX 600 MHz
- Varian DMX 900 MHz
Related Database Links:
| PDB | |
| 5 | no |
| . | . aminoglycoside phosphotransferase [Enterococcus faecalis] neomycin phosphotransferase II [Shuttle vector pSU7] neomycin phosphotransferase II [Shuttle vector pSU23] aminoglycoside phosphotransferase [Staphylococcus aureus] aminoglycoside phosphotransferase [Binary vector pUB-GW-GFP] aminoglycoside phosphotransferase [synthetic construct] unnamed protein product [Enterococcus faecalis] aph3 [Escherichia coli] 3'5''-aminoglycoside phosphotransferase [synthetic construct] aminoglycoside phosphotransferase type III [Enterococcus faecalis] aminocyclitol-3'-phosphotransferase [Staphylococcus aureus] kanamycin resistance protein [Plasmid pIP1433] 3'5''-aminoglycoside phosphotransferase [synthetic construct] 3'5'-aminoglycoside phosphotransferase [Staphylococcus aureus] aminoglycoside phosphotransferase A3 [Tn917 delivery vector pAJ005] kanamycin resistance protein - Campylobacter coli plasmid pIP1433 phosphotransferase,aminoglycoside MULTISPECIES: aminoglycoside 3'-phosphotransferase [Bacteria] aminoglycoside phosphotransferase APH(3') [Staphylococcus aureus] MULTISPECIES: aminoglycoside phosphotransferase APH(3') [Bacteria] aminoglycoside phosphotransferase APH(3'), partial [Enterococcus faecalis] MULTISPECIES: aminoglycoside phosphotransferase APH(3'), partial [Bacilli] RecName: Full=Aminoglycoside 3'-phosphotransferase; AltName: Full=APH(3')III; AltName: Full=Kanamycin kinase, type III; AltName RecName: Full=Aminoglycoside 3'-phosphotransferase; AltName: Full=APH(3')III; AltName: Full=Kanamycin kinase, type III; AltName |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts