BMRB Entry 27010
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27010
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Title: Adenylate kinase variant R119K bound to Ap5A ligand PubMed: 31339702
Deposition date: 2017-01-19 Original release date: 2019-07-30
Authors: Rogne, Per; Wolf-Watz, Magnus
Citation: Rogne, Per; Andersson, David; Grundstrom, Christin; Sauer-Eriksson, Elisabeth; Linusson, Anna; Wolf-Watz, Magnus. "Nucleation of an Activating Conformational Change by a Cation-pi Interaction" Biochemistry 58, 3408-3412 (2019).
Assembly members:
R119K, polymer, 214 residues, Formula weight is not available
entity_AP5, non-polymer, 916.367 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 Vector: pEAK91
Entity Sequences (FASTA):
R119K: MRIILLGAPGAGKGTQAQFI
MEKYGIPQISTGDMLRAAVK
SGSELGKQAKDIMDAGKLVT
DELVIALVKERIAQEDCRNG
FLLDGFPRTIPQADAMKEAG
INVDYVLEFDVPDELIVDKI
VGRRVHAPSGRVYHVKFNPP
KVEGKDDVTGEELTTRKDDQ
EETVRKRLVEYHQMTAPLIG
YYSKEAEAGNTKYAKVDGTK
PVAEVRADLEKILG
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 148 |
| 1H chemical shifts | 148 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | R119K | 1 |
| 2 | Ap5A | 2 |
Entities:
Entity 1, R119K 214 residues - Formula weight is not available
| 1 | MET | ARG | ILE | ILE | LEU | LEU | GLY | ALA | PRO | GLY | ||||
| 2 | ALA | GLY | LYS | GLY | THR | GLN | ALA | GLN | PHE | ILE | ||||
| 3 | MET | GLU | LYS | TYR | GLY | ILE | PRO | GLN | ILE | SER | ||||
| 4 | THR | GLY | ASP | MET | LEU | ARG | ALA | ALA | VAL | LYS | ||||
| 5 | SER | GLY | SER | GLU | LEU | GLY | LYS | GLN | ALA | LYS | ||||
| 6 | ASP | ILE | MET | ASP | ALA | GLY | LYS | LEU | VAL | THR | ||||
| 7 | ASP | GLU | LEU | VAL | ILE | ALA | LEU | VAL | LYS | GLU | ||||
| 8 | ARG | ILE | ALA | GLN | GLU | ASP | CYS | ARG | ASN | GLY | ||||
| 9 | PHE | LEU | LEU | ASP | GLY | PHE | PRO | ARG | THR | ILE | ||||
| 10 | PRO | GLN | ALA | ASP | ALA | MET | LYS | GLU | ALA | GLY | ||||
| 11 | ILE | ASN | VAL | ASP | TYR | VAL | LEU | GLU | PHE | ASP | ||||
| 12 | VAL | PRO | ASP | GLU | LEU | ILE | VAL | ASP | LYS | ILE | ||||
| 13 | VAL | GLY | ARG | ARG | VAL | HIS | ALA | PRO | SER | GLY | ||||
| 14 | ARG | VAL | TYR | HIS | VAL | LYS | PHE | ASN | PRO | PRO | ||||
| 15 | LYS | VAL | GLU | GLY | LYS | ASP | ASP | VAL | THR | GLY | ||||
| 16 | GLU | GLU | LEU | THR | THR | ARG | LYS | ASP | ASP | GLN | ||||
| 17 | GLU | GLU | THR | VAL | ARG | LYS | ARG | LEU | VAL | GLU | ||||
| 18 | TYR | HIS | GLN | MET | THR | ALA | PRO | LEU | ILE | GLY | ||||
| 19 | TYR | TYR | SER | LYS | GLU | ALA | GLU | ALA | GLY | ASN | ||||
| 20 | THR | LYS | TYR | ALA | LYS | VAL | ASP | GLY | THR | LYS | ||||
| 21 | PRO | VAL | ALA | GLU | VAL | ARG | ALA | ASP | LEU | GLU | ||||
| 22 | LYS | ILE | LEU | GLY |
Entity 2, Ap5A - C20 H29 N10 O22 P5 - 916.367 Da.
| 1 | AP5 |
Samples:
R119K_Ap5A: R119K, [U-15N], 200 uM; Ap5A 2 mM; MOPS 30 mM; NaCl 50 mM; TMSP 100 uM
sample_conditions_1: ionic strength: 80 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | R119K_Ap5A | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - collection
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
ANSIG, Kraulis - data analysis, peak picking
NMR spectrometers:
- Bruker AvanceIIIHD 850 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts