BMRB Entry 51194
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51194
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Title: Hydrogen exchange rates of human DHFR L80F PubMed: 35700725
Deposition date: 2021-11-25 Original release date: 2022-05-18
Authors: Wagnkilde, Morten; Teilum, Kaare
Citation: Kampmeyer, Caroline; Larsen-Ledet, Sven; Wagnkilde, Morten; Michelsen, Mathias; Iversen, Henriette; Nielsen, Sofie; Lindemose, Soren; Caregnato, Alberto; Ravid, Tommer; Stein, Amelie; Teilum, Kaare; Lindorff-Larsen, Kresten; Hartmann-Petersen, Rasmus. "Disease-linked mutations cause exposure of a protein quality control degron" Structure 30, 1245-1253 (2022).
Assembly members:
entity_1, polymer, 187 residues, Formula weight is not available
entity_FOL, non-polymer, 441.397 Da.
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: pSUMO_DHFR
Entity Sequences (FASTA):
entity_1: MVGSLNCIVAVSQNMGIGKN
GDLPWPPLRNEFRYFQRMTT
TSSVEGKQNLVIMGKKTWFS
IPEKNRPLKGRINLVLSREF
KEPPQGAHFLSRSLDDALKL
TEQPELANKVDMVWIVGGSS
VYKEAMNHPGHLKLFVTRIM
QDFESDTFFPEIDLEKYKLL
PEYPGVLSDVQEEKGIKYKF
EVYEKND
- H_exch_rates
| Data type | Count |
| H exchange rates | 101 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Protein | 1 |
| 2 | ligand | 2 |
Entities:
Entity 1, Protein 187 residues - Formula weight is not available
| 1 | MET | VAL | GLY | SER | LEU | ASN | CYS | ILE | VAL | ALA | ||||
| 2 | VAL | SER | GLN | ASN | MET | GLY | ILE | GLY | LYS | ASN | ||||
| 3 | GLY | ASP | LEU | PRO | TRP | PRO | PRO | LEU | ARG | ASN | ||||
| 4 | GLU | PHE | ARG | TYR | PHE | GLN | ARG | MET | THR | THR | ||||
| 5 | THR | SER | SER | VAL | GLU | GLY | LYS | GLN | ASN | LEU | ||||
| 6 | VAL | ILE | MET | GLY | LYS | LYS | THR | TRP | PHE | SER | ||||
| 7 | ILE | PRO | GLU | LYS | ASN | ARG | PRO | LEU | LYS | GLY | ||||
| 8 | ARG | ILE | ASN | LEU | VAL | LEU | SER | ARG | GLU | PHE | ||||
| 9 | LYS | GLU | PRO | PRO | GLN | GLY | ALA | HIS | PHE | LEU | ||||
| 10 | SER | ARG | SER | LEU | ASP | ASP | ALA | LEU | LYS | LEU | ||||
| 11 | THR | GLU | GLN | PRO | GLU | LEU | ALA | ASN | LYS | VAL | ||||
| 12 | ASP | MET | VAL | TRP | ILE | VAL | GLY | GLY | SER | SER | ||||
| 13 | VAL | TYR | LYS | GLU | ALA | MET | ASN | HIS | PRO | GLY | ||||
| 14 | HIS | LEU | LYS | LEU | PHE | VAL | THR | ARG | ILE | MET | ||||
| 15 | GLN | ASP | PHE | GLU | SER | ASP | THR | PHE | PHE | PRO | ||||
| 16 | GLU | ILE | ASP | LEU | GLU | LYS | TYR | LYS | LEU | LEU | ||||
| 17 | PRO | GLU | TYR | PRO | GLY | VAL | LEU | SER | ASP | VAL | ||||
| 18 | GLN | GLU | GLU | LYS | GLY | ILE | LYS | TYR | LYS | PHE | ||||
| 19 | GLU | VAL | TYR | GLU | LYS | ASN | ASP |
Entity 2, ligand - C19 H19 N7 O6 - 441.397 Da.
| 1 | FOL |
Samples:
sample_1: dihydrofolate reductase, [U-100% 15N], 0.4 mM; folate 425 uM; D2O 55 M; K-phosphate 50 mM; KCl 50 mM; DTT 1 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v9.9 - data analysis
NMR spectrometers:
- Bruker AVANCE III HD 750 MHz