BMRB Entry 50913
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50913
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Title: PTP1B 1-301 L204A PubMed: 35921420
Deposition date: 2021-04-27 Original release date: 2022-10-12
Authors: Torgeson, Kristiane; Page, Rebecca; Peti, Wolfgang
Citation: Torgeson, Kristiane; Clarkson, Michael; Granata, Daniele; Lindorff-Larsen, Kresten; Page, Rebecca; Peti, Wolfgang. "Conserved conformational dynamics determine enzyme activity" Sci. Adv. 8, eabo5546-eabo5546 (2022).
Assembly members:
entity_1, polymer, 308 residues, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRP1B
Entity Sequences (FASTA):
entity_1: GHMASMEMEKEFEQIDKSGS
WAAIYQDIRHEASDFPCRVA
KLPKNKNRNRYRDVSPFDHS
RIKLHQEDNDYINASLIKME
EAQRSYILTQGPLPNTCGHF
WEMVWEQKSRGVVMLNRVME
KGSLKCAQYWPQKEEKEMIF
EDTNLKLTLISEDIKSYYTV
RQLELENLTTQETREILHFH
YTTWPDFGVPESPASFLNFL
FKVRESGSASPEHGPVVVHC
SAGIGRSGTFCLADTCLLLM
DKRKDPSSVDIKKVLLEMRK
FRMGLIQTADQLRFSYLAVI
EGAKFIMGDSSVQDQWKELS
HEDLEPHN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 510 |
| 15N chemical shifts | 239 |
| 1H chemical shifts | 239 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PTP1B L204A | 1 |
Entities:
Entity 1, PTP1B L204A 308 residues - Formula weight is not available
| 1 | GLY | HIS | MET | ALA | SER | MET | GLU | MET | GLU | LYS | ||||
| 2 | GLU | PHE | GLU | GLN | ILE | ASP | LYS | SER | GLY | SER | ||||
| 3 | TRP | ALA | ALA | ILE | TYR | GLN | ASP | ILE | ARG | HIS | ||||
| 4 | GLU | ALA | SER | ASP | PHE | PRO | CYS | ARG | VAL | ALA | ||||
| 5 | LYS | LEU | PRO | LYS | ASN | LYS | ASN | ARG | ASN | ARG | ||||
| 6 | TYR | ARG | ASP | VAL | SER | PRO | PHE | ASP | HIS | SER | ||||
| 7 | ARG | ILE | LYS | LEU | HIS | GLN | GLU | ASP | ASN | ASP | ||||
| 8 | TYR | ILE | ASN | ALA | SER | LEU | ILE | LYS | MET | GLU | ||||
| 9 | GLU | ALA | GLN | ARG | SER | TYR | ILE | LEU | THR | GLN | ||||
| 10 | GLY | PRO | LEU | PRO | ASN | THR | CYS | GLY | HIS | PHE | ||||
| 11 | TRP | GLU | MET | VAL | TRP | GLU | GLN | LYS | SER | ARG | ||||
| 12 | GLY | VAL | VAL | MET | LEU | ASN | ARG | VAL | MET | GLU | ||||
| 13 | LYS | GLY | SER | LEU | LYS | CYS | ALA | GLN | TYR | TRP | ||||
| 14 | PRO | GLN | LYS | GLU | GLU | LYS | GLU | MET | ILE | PHE | ||||
| 15 | GLU | ASP | THR | ASN | LEU | LYS | LEU | THR | LEU | ILE | ||||
| 16 | SER | GLU | ASP | ILE | LYS | SER | TYR | TYR | THR | VAL | ||||
| 17 | ARG | GLN | LEU | GLU | LEU | GLU | ASN | LEU | THR | THR | ||||
| 18 | GLN | GLU | THR | ARG | GLU | ILE | LEU | HIS | PHE | HIS | ||||
| 19 | TYR | THR | THR | TRP | PRO | ASP | PHE | GLY | VAL | PRO | ||||
| 20 | GLU | SER | PRO | ALA | SER | PHE | LEU | ASN | PHE | LEU | ||||
| 21 | PHE | LYS | VAL | ARG | GLU | SER | GLY | SER | ALA | SER | ||||
| 22 | PRO | GLU | HIS | GLY | PRO | VAL | VAL | VAL | HIS | CYS | ||||
| 23 | SER | ALA | GLY | ILE | GLY | ARG | SER | GLY | THR | PHE | ||||
| 24 | CYS | LEU | ALA | ASP | THR | CYS | LEU | LEU | LEU | MET | ||||
| 25 | ASP | LYS | ARG | LYS | ASP | PRO | SER | SER | VAL | ASP | ||||
| 26 | ILE | LYS | LYS | VAL | LEU | LEU | GLU | MET | ARG | LYS | ||||
| 27 | PHE | ARG | MET | GLY | LEU | ILE | GLN | THR | ALA | ASP | ||||
| 28 | GLN | LEU | ARG | PHE | SER | TYR | LEU | ALA | VAL | ILE | ||||
| 29 | GLU | GLY | ALA | LYS | PHE | ILE | MET | GLY | ASP | SER | ||||
| 30 | SER | VAL | GLN | ASP | GLN | TRP | LYS | GLU | LEU | SER | ||||
| 31 | HIS | GLU | ASP | LEU | GLU | PRO | HIS | ASN |
Samples:
sample_1: PTP1B L204A, [U-99% 13C; U-99% 15N; U-99% 2H], 360 uM; D2O 10%; H2O 90%; HEPES 20 mM; sodium chloride 150 mM; TCEP 0.5 mM
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
Software:
CARA v1.9.1.7 - chemical shift assignment
TOPSPIN v4.1.1 - collection
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts