BMRB Entry 5740
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5740
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Citation: Osborne, Michael; Venkitakrishnan, Rani; Dyson, H.; Wright, Peter. "Diagnostic Chemical Shift Markers for Loop Conformation and Substrate and
Cofactor Binding in Dihydrofolate Reductase Complexes " Protein Sci. 12, 2230-2238 (2003).
PubMed: 14500880
Assembly members:
dihydrofolate reducatse, polymer, 159 residues, Formula weight is not available
FOL, non-polymer, 441.397 Da.
NAP, non-polymer, 743.405 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
Entity Sequences (FASTA):
dihydrofolate reducatse: MISLIAALAVDRVIGMENAM
PWNLPADLAWFKRNTLDKPV
IMGRHTWESIGRPLPGRKNI
ILSSQPGTDDRVTWVKSVDE
AIAACGDVPEIMVIGGGRVY
EQFLPKAQKLYLTHIDAEVE
GDTHFPDYEPDDWESVFSEF
HDADAQNSHSYCFEILERR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 139 |
| 13C chemical shifts | 428 |
| 15N chemical shifts | 139 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DHFR | 1 |
| 2 | FOL | 2 |
| 3 | NADP | 3 |
Entities:
Entity 1, DHFR 159 residues - Formula weight is not available
| 1 | MET | ILE | SER | LEU | ILE | ALA | ALA | LEU | ALA | VAL | ||||
| 2 | ASP | ARG | VAL | ILE | GLY | MET | GLU | ASN | ALA | MET | ||||
| 3 | PRO | TRP | ASN | LEU | PRO | ALA | ASP | LEU | ALA | TRP | ||||
| 4 | PHE | LYS | ARG | ASN | THR | LEU | ASP | LYS | PRO | VAL | ||||
| 5 | ILE | MET | GLY | ARG | HIS | THR | TRP | GLU | SER | ILE | ||||
| 6 | GLY | ARG | PRO | LEU | PRO | GLY | ARG | LYS | ASN | ILE | ||||
| 7 | ILE | LEU | SER | SER | GLN | PRO | GLY | THR | ASP | ASP | ||||
| 8 | ARG | VAL | THR | TRP | VAL | LYS | SER | VAL | ASP | GLU | ||||
| 9 | ALA | ILE | ALA | ALA | CYS | GLY | ASP | VAL | PRO | GLU | ||||
| 10 | ILE | MET | VAL | ILE | GLY | GLY | GLY | ARG | VAL | TYR | ||||
| 11 | GLU | GLN | PHE | LEU | PRO | LYS | ALA | GLN | LYS | LEU | ||||
| 12 | TYR | LEU | THR | HIS | ILE | ASP | ALA | GLU | VAL | GLU | ||||
| 13 | GLY | ASP | THR | HIS | PHE | PRO | ASP | TYR | GLU | PRO | ||||
| 14 | ASP | ASP | TRP | GLU | SER | VAL | PHE | SER | GLU | PHE | ||||
| 15 | HIS | ASP | ALA | ASP | ALA | GLN | ASN | SER | HIS | SER | ||||
| 16 | TYR | CYS | PHE | GLU | ILE | LEU | GLU | ARG | ARG |
Entity 2, FOL - C19 H19 N7 O6 - 441.397 Da.
| 1 | FOL |
Entity 3, NADP - C21 H28 N7 O17 P3 - 743.405 Da.
| 1 | NAP |
Samples:
sample_1: dihydrofolate reducatse, [U-13C; U-15N], 1.2 mM; FOLIC ACID 20 mM; NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 20 mM; potassium chloride 100 mM; EDTA 1 mM; DTT 1 mM; potassium phosphate 50 mM
condition_1: pH*: 6.8 na; temperature: 306.4 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 1H-15N HSQC | sample_1 | not available | condition_1 |
| 1H-13C HSQC | sample_1 | not available | condition_1 |
| HNCACB | sample_1 | not available | condition_1 |
| CBCA(CO)NH | sample_1 | not available | condition_1 |
| C(CO)NH-TOCSY | sample_1 | not available | condition_1 |
Software:
No software information available
NMR spectrometers:
- Bruker AMX 600 MHz
- Bruker DRX 500 MHz
Related Database Links:
| BMRB | 11492 25019 4554 5741 |
| PDB | |
| DBJ | BAA05974 BAB33474 BAB96616 BAG75573 BAI23410 |
| EMBL | CAA28755 CAP74618 CAQ30568 CAQ87642 CAQ96940 |
| GB | AAA87976 AAC73159 AAG54351 AAN41711 AAN78554 |
| REF | NP_285743 NP_308078 NP_414590 NP_706004 NP_752010 |
| SP | P0ABQ4 P0ABQ5 P0ABQ6 |
| AlphaFold | P0ABQ4 P0ABQ5 P0ABQ6 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks