BMRB Entry 27695
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27695
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Title: aromatic 1H, 13C chemical shift assignment for FK506 bound FKBP12 C22A PubMed: 27936610
Deposition date: 2018-11-20 Original release date: 2018-11-21
Authors: Weininger, Ulrich; Akke, Mikael
Citation: Weininger, Ulrich; Modig, Kristofer; Geitner, Anne; Schmidpeter, Philipp; Koch, Johanna; Akke, Mikael. "Dynamics of Aromatic Side Chains in the Active Site of FKBP12" Biochemistry 56, 334-343 (2017).
Assembly members:
FKBP12, polymer, 107 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet11a
Entity Sequences (FASTA):
FKBP12: GVQVETISPGDGRTFPKRGQ
TAVVHYTGMLEDGKKFDSSR
DRNKPFKFMLGKQEVIRGWE
EGVAQMSVGQRAKLTISPDY
AYGATGHPGIIPPHATLVFD
VELLKLE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 22 |
| 1H chemical shifts | 22 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | FKBP12 | 1 |
Entities:
Entity 1, FKBP12 107 residues - Formula weight is not available
| 1 | GLY | VAL | GLN | VAL | GLU | THR | ILE | SER | PRO | GLY | ||||
| 2 | ASP | GLY | ARG | THR | PHE | PRO | LYS | ARG | GLY | GLN | ||||
| 3 | THR | ALA | VAL | VAL | HIS | TYR | THR | GLY | MET | LEU | ||||
| 4 | GLU | ASP | GLY | LYS | LYS | PHE | ASP | SER | SER | ARG | ||||
| 5 | ASP | ARG | ASN | LYS | PRO | PHE | LYS | PHE | MET | LEU | ||||
| 6 | GLY | LYS | GLN | GLU | VAL | ILE | ARG | GLY | TRP | GLU | ||||
| 7 | GLU | GLY | VAL | ALA | GLN | MET | SER | VAL | GLY | GLN | ||||
| 8 | ARG | ALA | LYS | LEU | THR | ILE | SER | PRO | ASP | TYR | ||||
| 9 | ALA | TYR | GLY | ALA | THR | GLY | HIS | PRO | GLY | ILE | ||||
| 10 | ILE | PRO | PRO | HIS | ALA | THR | LEU | VAL | PHE | ASP | ||||
| 11 | VAL | GLU | LEU | LEU | LYS | LEU | GLU |
Samples:
sample_1: FKBP12, selective 13C, 1 mM; sodium phosphate 25 mM
sample_conditions_1: ionic strength: 25 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ, Varian - collection
NMR spectrometers:
- Varian Direct Drive 600 MHz