BMRB Entry 5237
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5237
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Title: Assignment of 1H, 13C, and 15N resonances of Type II R67 Dihydrofolate Reductase PubMed: 14503865
Deposition date: 2001-12-18 Original release date: 2003-12-08
Authors: Pitcher, Wayne; DeRose, Eugene; Mueller, Geoffrey; Howell, Elizabeth; London, Robert
Citation: Pitcher, Wayne; DeRose, Eugene; Mueller, Geoffrey; Howell, Elizabeth; London, Robert. "NMR studies of the interaction of a type II dihydrofolate reductase with pyridine nucleotides reveal unexpected phosphatase and reductase activity" Biochemistry 42, 11150-11160 (2003).
Assembly members:
Dihydrofolate reductase, polymer, 78 residues, Formula weight is not available
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Eubacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
Dihydrofolate reductase: MERSSNEVSNPVAGNFVFPS
NATFGMGDRVRKKSGAAWQG
QIVGWYCTNLTPEGYAVESE
AHPGSVQIYPVAALERIN
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 350 |
| 13C chemical shifts | 161 |
| 15N chemical shifts | 66 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | R67 DHFR subunit A | 1 |
| 2 | R67 DHFR subunit B | 1 |
| 3 | R67 DHFR subunit C | 1 |
| 4 | R67 DHFR subunit D | 1 |
Entities:
Entity 1, R67 DHFR subunit A 78 residues - Formula weight is not available
| 1 | MET | GLU | ARG | SER | SER | ASN | GLU | VAL | SER | ASN | ||||
| 2 | PRO | VAL | ALA | GLY | ASN | PHE | VAL | PHE | PRO | SER | ||||
| 3 | ASN | ALA | THR | PHE | GLY | MET | GLY | ASP | ARG | VAL | ||||
| 4 | ARG | LYS | LYS | SER | GLY | ALA | ALA | TRP | GLN | GLY | ||||
| 5 | GLN | ILE | VAL | GLY | TRP | TYR | CYS | THR | ASN | LEU | ||||
| 6 | THR | PRO | GLU | GLY | TYR | ALA | VAL | GLU | SER | GLU | ||||
| 7 | ALA | HIS | PRO | GLY | SER | VAL | GLN | ILE | TYR | PRO | ||||
| 8 | VAL | ALA | ALA | LEU | GLU | ARG | ILE | ASN |
Samples:
sample_1: Dihydrofolate reductase, [U-13C; U-15N], 0.7 mM; sodium azide 6.0 mM; sodium phosphate 25 mM
conditions_1: pH: 7.0 na; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | conditions_1 |
| 1H-13C CT-HSQC | sample_1 | not available | conditions_1 |
| HNCACB | sample_1 | not available | conditions_1 |
| CBCA(CO)NH | sample_1 | not available | conditions_1 |
| 15N-edited TOCSY-HSQC | sample_1 | not available | conditions_1 |
| C(CO)NH | sample_1 | not available | conditions_1 |
| H(CCO)NH | sample_1 | not available | conditions_1 |
Software:
NMRPipe - data processing
NMRView - data analysis
NMR spectrometers:
- Varian UnityPlus 500 MHz
Related Database Links:
| PDB | |
| EMBL | CAI56200 CAQ52800 CAT00055 |
| GB | AAA26083 AAA72259 AAA82255 AAN41433 AAY33960 |
| REF | WP_000442373 WP_032490450 YP_009077699 YP_009080011 YP_009080016 |
| SP | P00383 |
| AlphaFold | P00383 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts