BMRB Entry 26989
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26989
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Title: Backbone 1H, 13C, and 15N Chemical Shift Assignments for fluoroacetate dehalogenase from Rhodopseudomonas palustris PubMed: 28104837
Deposition date: 2017-01-04 Original release date: 2021-07-22
Authors: Kim, Tae Hun; Prosser, R Scott; Mehrabi, Pedram; Ren, Zhong; Ing, Christopher; Bezginov, Alexandr; Ye, Libin; Pom s, R gis; Pai, Emil
Citation: Kim, Tae Hun; Mehrabi, Pedram; Ren, Zhong; Sljoka, Adnan; Ing, Christopher; Bezginov, Alexandr; Ye, Libin; Pomes, Regis; Prosser, R Scott; Pai, Emil. "The role of dimer asymmetry and protomer dynamics in enzyme catalysis" Science 355, .-. (2017).
Assembly members:
Fluoroacetate_dehalogenase, polymer, 306 residues, Formula weight is not available
Natural source: Common Name: Rhodopseudomonas palustris Taxonomy ID: 1076 Superkingdom: Bacteria Kingdom: not available Genus/species: Rhodopseudomonas palustris
Experimental source: Production method: recombinant technology Host organism: Rhodopseudomonas palustris Vector: pET-15b
Entity Sequences (FASTA):
Fluoroacetate_dehalogenase: GHMPDLADLFPGFGSEWINT
SSGRIFARVGGDGPPLLLLH
GFPQTHVMWHRVAPKLAERF
KVIVADLPGYGWSDMPESDE
QHTPYTKRAMAKQLIEAMEQ
LGHVHFALAGHNRGARVSYR
LALDSPGRLSKLAVLDILPT
YEYWQRMNRAYALKIYHWSF
LAQPAPLPENLLGGDPDFYV
KAKLASWTRAGDLSAFDPRA
VEHYRIAFADPMRRHVMCED
YRAGAYADFEHDKIDVEAGN
KIPVPMLALWGASGIAQSAA
TPLDVWRKWASDVQGAPIES
GHFLPEEAPDQTAEALVRFF
SAAPGS
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 568 |
| 15N chemical shifts | 219 |
| 1H chemical shifts | 219 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Protomer 1 | 1 |
Entities:
Entity 1, Protomer 1 306 residues - Formula weight is not available
| 1 | GLY | HIS | MET | PRO | ASP | LEU | ALA | ASP | LEU | PHE | ||||
| 2 | PRO | GLY | PHE | GLY | SER | GLU | TRP | ILE | ASN | THR | ||||
| 3 | SER | SER | GLY | ARG | ILE | PHE | ALA | ARG | VAL | GLY | ||||
| 4 | GLY | ASP | GLY | PRO | PRO | LEU | LEU | LEU | LEU | HIS | ||||
| 5 | GLY | PHE | PRO | GLN | THR | HIS | VAL | MET | TRP | HIS | ||||
| 6 | ARG | VAL | ALA | PRO | LYS | LEU | ALA | GLU | ARG | PHE | ||||
| 7 | LYS | VAL | ILE | VAL | ALA | ASP | LEU | PRO | GLY | TYR | ||||
| 8 | GLY | TRP | SER | ASP | MET | PRO | GLU | SER | ASP | GLU | ||||
| 9 | GLN | HIS | THR | PRO | TYR | THR | LYS | ARG | ALA | MET | ||||
| 10 | ALA | LYS | GLN | LEU | ILE | GLU | ALA | MET | GLU | GLN | ||||
| 11 | LEU | GLY | HIS | VAL | HIS | PHE | ALA | LEU | ALA | GLY | ||||
| 12 | HIS | ASN | ARG | GLY | ALA | ARG | VAL | SER | TYR | ARG | ||||
| 13 | LEU | ALA | LEU | ASP | SER | PRO | GLY | ARG | LEU | SER | ||||
| 14 | LYS | LEU | ALA | VAL | LEU | ASP | ILE | LEU | PRO | THR | ||||
| 15 | TYR | GLU | TYR | TRP | GLN | ARG | MET | ASN | ARG | ALA | ||||
| 16 | TYR | ALA | LEU | LYS | ILE | TYR | HIS | TRP | SER | PHE | ||||
| 17 | LEU | ALA | GLN | PRO | ALA | PRO | LEU | PRO | GLU | ASN | ||||
| 18 | LEU | LEU | GLY | GLY | ASP | PRO | ASP | PHE | TYR | VAL | ||||
| 19 | LYS | ALA | LYS | LEU | ALA | SER | TRP | THR | ARG | ALA | ||||
| 20 | GLY | ASP | LEU | SER | ALA | PHE | ASP | PRO | ARG | ALA | ||||
| 21 | VAL | GLU | HIS | TYR | ARG | ILE | ALA | PHE | ALA | ASP | ||||
| 22 | PRO | MET | ARG | ARG | HIS | VAL | MET | CYS | GLU | ASP | ||||
| 23 | TYR | ARG | ALA | GLY | ALA | TYR | ALA | ASP | PHE | GLU | ||||
| 24 | HIS | ASP | LYS | ILE | ASP | VAL | GLU | ALA | GLY | ASN | ||||
| 25 | LYS | ILE | PRO | VAL | PRO | MET | LEU | ALA | LEU | TRP | ||||
| 26 | GLY | ALA | SER | GLY | ILE | ALA | GLN | SER | ALA | ALA | ||||
| 27 | THR | PRO | LEU | ASP | VAL | TRP | ARG | LYS | TRP | ALA | ||||
| 28 | SER | ASP | VAL | GLN | GLY | ALA | PRO | ILE | GLU | SER | ||||
| 29 | GLY | HIS | PHE | LEU | PRO | GLU | GLU | ALA | PRO | ASP | ||||
| 30 | GLN | THR | ALA | GLU | ALA | LEU | VAL | ARG | PHE | PHE | ||||
| 31 | SER | ALA | ALA | PRO | GLY | SER |
Samples:
sample_1: Fluoroacetate dehalogenase, [U-100% 13C; U-100% 15N; U-80% 2H], 2.5 mM
sample_conditions_1: ionic strength: 0 mM; pH: 8.5; pressure: 1 atm; temperature: 323 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts