BMRB Entry 4027
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4027
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Citation: Altmann, Serge; Labhardt, Alexander; Senn, Hans; Wuthrich, Kurt. "Sequence-Specific 1H, 13C, and 15N assignment of the TMP-resistant dihydrofolate
reductase mutant DHFR(F98Y) in the ternary complex with TMP and NADPH" J. Biomol. NMR 9, 445-446 (1997).
Assembly members:
Dihydrofolate reductase, polymer, 158 residues, Formula weight is not available
TMP, non-polymer, 322.208 Da.
NDP, non-polymer, 745.421 Da.
Natural source: Common Name: S. aureus Taxonomy ID: 1280 Superkingdom: Bacteria Kingdom: not available Genus/species: Staphylococcus aureus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pREP
Entity Sequences (FASTA):
Dihydrofolate reductase: TLSILVAHDLQRVIGFENQL
PWHLPNDLKHVKKLSTGHTL
VMGRKTFESIGKPLPNRRNV
VLTSDTSFNVEGVDVIHSIE
DIYQLPGHVFIFGGQTLYEE
MIDKVDDMYITVIEGKFRGD
TFFPPYTFEDWEVASSVEGK
LDEKNTIPHTFLHLIRKK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 673 |
| 15N chemical shifts | 165 |
| 1H chemical shifts | 1152 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | DHFR(F98Y) | 1 |
| 2 | trimethoprim | 2 |
| 3 | NADPH | 3 |
Entities:
Entity 1, DHFR(F98Y) 158 residues - Formula weight is not available
| 1 | THR | LEU | SER | ILE | LEU | VAL | ALA | HIS | ASP | LEU | ||||
| 2 | GLN | ARG | VAL | ILE | GLY | PHE | GLU | ASN | GLN | LEU | ||||
| 3 | PRO | TRP | HIS | LEU | PRO | ASN | ASP | LEU | LYS | HIS | ||||
| 4 | VAL | LYS | LYS | LEU | SER | THR | GLY | HIS | THR | LEU | ||||
| 5 | VAL | MET | GLY | ARG | LYS | THR | PHE | GLU | SER | ILE | ||||
| 6 | GLY | LYS | PRO | LEU | PRO | ASN | ARG | ARG | ASN | VAL | ||||
| 7 | VAL | LEU | THR | SER | ASP | THR | SER | PHE | ASN | VAL | ||||
| 8 | GLU | GLY | VAL | ASP | VAL | ILE | HIS | SER | ILE | GLU | ||||
| 9 | ASP | ILE | TYR | GLN | LEU | PRO | GLY | HIS | VAL | PHE | ||||
| 10 | ILE | PHE | GLY | GLY | GLN | THR | LEU | TYR | GLU | GLU | ||||
| 11 | MET | ILE | ASP | LYS | VAL | ASP | ASP | MET | TYR | ILE | ||||
| 12 | THR | VAL | ILE | GLU | GLY | LYS | PHE | ARG | GLY | ASP | ||||
| 13 | THR | PHE | PHE | PRO | PRO | TYR | THR | PHE | GLU | ASP | ||||
| 14 | TRP | GLU | VAL | ALA | SER | SER | VAL | GLU | GLY | LYS | ||||
| 15 | LEU | ASP | GLU | LYS | ASN | THR | ILE | PRO | HIS | THR | ||||
| 16 | PHE | LEU | HIS | LEU | ILE | ARG | LYS | LYS |
Entity 2, trimethoprim - C10 H15 N2 O8 P - 322.208 Da.
| 1 | TMP |
Entity 3, NADPH - C21 H30 N7 O17 P3 - 745.421 Da.
| 1 | NDP |
Related Database Links:
| PDB | 2W9G 2W9H 3F0B 3F0Q 3F0S 3F0U 3F0V 3F0X 3FQ0 3FQC 3FQF 3FQO 3FQV 3FQZ 3FRA 3FRB 3FRD 3FRE 3FRF 3FY8 3FY9 3FYV 3FYW 3I8A 3LG4 3M08 3M09 3SGY 3SH2 3SQY 3SR5 3SRQ 3SRR 3SRS 3SRU 3SRW 4FGG 4FGH 4LAE 4LAG 4LAH 4LEK 4Q67 4Q6A 4TU5 4XEC |
| DBJ | BAB42519 BAB57588 BAB95181 BAF67609 BAF78297 |
| EMBL | CAA78910 CAG40436 CAG43145 CAI80970 CAQ49851 |
| GB | AAW36662 ABD22190 ABD30526 ABQ49280 ABR52364 |
| REF | WP_000175739 WP_000175740 WP_000175741 WP_000175742 WP_000175743 |
| SP | P0A016 P0A017 P99079 Q5HFZ7 Q6G9D5 |
| AlphaFold | P0A016 P0A017 P99079 Q5HFZ7 Q6G9D5 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks