BMRB Entry 7196
BMRB Entry DOI: doi:10.13018/BMR7196
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Morgan, W.; Birdsall, B.; Nieto, P.; Gargaro, A.; Feeney, J.. "1H/15N HSQC NMR studies of ligand carboxylate group interactions with arginine residues in complexes of brodimoprim analogues and Lactobacillus casei dihydrofolate reductase" Biochemistry 38, 2127-2134 (1999).
PubMed: 10026296
Assembly members:
dihydrofolate reductase, polymer, 162 residues, 454.439 Da.
MTX, non-polymer, 454.439 Da.
Natural source: Common Name: Lactobacillus casei Taxonomy ID: 1582 Superkingdom: Eubacteria Kingdom: not available Genus/species: Lactobacillus casei
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
dihydrofolate reductase: TAFLWAQDRDGLIGKDGHLP
WHLPDDLHYFRAQTVGKIMV
VGRRTYESFPKRPLPERTNV
VLTHQEDYQAQGAVVVHDVA
AVFAYAKQHPDQELVIAGGA
QIFTAFKDDVDTLLVTRLAG
SFEGDTKMIPLNWDDFTKVS
SRTVEDTNPALTHTYEVWQK
KA
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 151 |
| 1H chemical shifts | 152 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | dihydrofolate reductase | 1 |
| 2 | METHOTREXATE | 2 |
Entities:
Entity 1, dihydrofolate reductase 162 residues - 454.439 Da.
| 1 | THR | ALA | PHE | LEU | TRP | ALA | GLN | ASP | ARG | ASP | ||||
| 2 | GLY | LEU | ILE | GLY | LYS | ASP | GLY | HIS | LEU | PRO | ||||
| 3 | TRP | HIS | LEU | PRO | ASP | ASP | LEU | HIS | TYR | PHE | ||||
| 4 | ARG | ALA | GLN | THR | VAL | GLY | LYS | ILE | MET | VAL | ||||
| 5 | VAL | GLY | ARG | ARG | THR | TYR | GLU | SER | PHE | PRO | ||||
| 6 | LYS | ARG | PRO | LEU | PRO | GLU | ARG | THR | ASN | VAL | ||||
| 7 | VAL | LEU | THR | HIS | GLN | GLU | ASP | TYR | GLN | ALA | ||||
| 8 | GLN | GLY | ALA | VAL | VAL | VAL | HIS | ASP | VAL | ALA | ||||
| 9 | ALA | VAL | PHE | ALA | TYR | ALA | LYS | GLN | HIS | PRO | ||||
| 10 | ASP | GLN | GLU | LEU | VAL | ILE | ALA | GLY | GLY | ALA | ||||
| 11 | GLN | ILE | PHE | THR | ALA | PHE | LYS | ASP | ASP | VAL | ||||
| 12 | ASP | THR | LEU | LEU | VAL | THR | ARG | LEU | ALA | GLY | ||||
| 13 | SER | PHE | GLU | GLY | ASP | THR | LYS | MET | ILE | PRO | ||||
| 14 | LEU | ASN | TRP | ASP | ASP | PHE | THR | LYS | VAL | SER | ||||
| 15 | SER | ARG | THR | VAL | GLU | ASP | THR | ASN | PRO | ALA | ||||
| 16 | LEU | THR | HIS | THR | TYR | GLU | VAL | TRP | GLN | LYS | ||||
| 17 | LYS | ALA |
Entity 2, METHOTREXATE - C20 H22 N8 O5 - 454.439 Da.
| 1 | MTX |
Samples:
sample_1: dihydrofolate reductase 1 mM; potassium phosphate 50 mM; potassium chloride 100 mM
conditions_1: pH*: 6.5 M
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| unknown | sample_1 | isotropic | conditions_1 |
Software:
No software information available
NMR spectrometers:
- unknown unknown 0 MHz
Related Database Links:
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks