BMRB Entry 5820
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR5820
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
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Citation: Scheuermann, Thomas; Lolis, Elias; Hodsdon, Michael. "Tertiary Structure of Thiopurine Methyltransferase from Pseudomonas syringae,
a Bacterial Orthologue of a Polymorphic, Drug-metabolizing Enzyme " J. Mol. Biol. 333, 573-585 (2003).
PubMed: 14556746
Assembly members:
thiopurine methyltransferase, polymer, 203 residues, 22566.5 Da.
Natural source: Common Name: Pseudomonas syringae Taxonomy ID: 317 Superkingdom: Eubacteria Kingdom: not available Genus/species: Pseudomonas syringae
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
thiopurine methyltransferase: GSHQSEVNKDLQQYWSSLNV
VPGARVLVPLCGKSQDMSWL
SGQGYHVVGAELSEAAVERY
FTERGEQPHITSQGDFKVYA
APGIEIWCGDFFALTARDIG
HCAAFYDRAAMIALPADMRE
RYVQHLEALMPQACSGLLIT
LEYDQALLEGPPFSVPQTWL
HRVMSGNWEVTKVGGQDTLH
SSARGLKAGLERMDEHVYVL
ERV
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 1171 |
| 13C chemical shifts | 792 |
| 15N chemical shifts | 194 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | TPMT | 1 |
Entities:
Entity 1, TPMT 203 residues - 22566.5 Da.
| 1 | GLY | SER | HIS | GLN | SER | GLU | VAL | ASN | LYS | ASP | ||||
| 2 | LEU | GLN | GLN | TYR | TRP | SER | SER | LEU | ASN | VAL | ||||
| 3 | VAL | PRO | GLY | ALA | ARG | VAL | LEU | VAL | PRO | LEU | ||||
| 4 | CYS | GLY | LYS | SER | GLN | ASP | MET | SER | TRP | LEU | ||||
| 5 | SER | GLY | GLN | GLY | TYR | HIS | VAL | VAL | GLY | ALA | ||||
| 6 | GLU | LEU | SER | GLU | ALA | ALA | VAL | GLU | ARG | TYR | ||||
| 7 | PHE | THR | GLU | ARG | GLY | GLU | GLN | PRO | HIS | ILE | ||||
| 8 | THR | SER | GLN | GLY | ASP | PHE | LYS | VAL | TYR | ALA | ||||
| 9 | ALA | PRO | GLY | ILE | GLU | ILE | TRP | CYS | GLY | ASP | ||||
| 10 | PHE | PHE | ALA | LEU | THR | ALA | ARG | ASP | ILE | GLY | ||||
| 11 | HIS | CYS | ALA | ALA | PHE | TYR | ASP | ARG | ALA | ALA | ||||
| 12 | MET | ILE | ALA | LEU | PRO | ALA | ASP | MET | ARG | GLU | ||||
| 13 | ARG | TYR | VAL | GLN | HIS | LEU | GLU | ALA | LEU | MET | ||||
| 14 | PRO | GLN | ALA | CYS | SER | GLY | LEU | LEU | ILE | THR | ||||
| 15 | LEU | GLU | TYR | ASP | GLN | ALA | LEU | LEU | GLU | GLY | ||||
| 16 | PRO | PRO | PHE | SER | VAL | PRO | GLN | THR | TRP | LEU | ||||
| 17 | HIS | ARG | VAL | MET | SER | GLY | ASN | TRP | GLU | VAL | ||||
| 18 | THR | LYS | VAL | GLY | GLY | GLN | ASP | THR | LEU | HIS | ||||
| 19 | SER | SER | ALA | ARG | GLY | LEU | LYS | ALA | GLY | LEU | ||||
| 20 | GLU | ARG | MET | ASP | GLU | HIS | VAL | TYR | VAL | LEU | ||||
| 21 | GLU | ARG | VAL |
Samples:
sample_1: thiopurine methyltransferase, [U-98% 13C; U-98% 15N], 1.5 mM; potassium phosphate 20 mM; sodium chloride 150 mM; sodium azide 0.05%; leupeptin 1 uM; pepstatin 1 uM; PMSF 1 uM; D20 5%
cond_set_1: pH: 6.8; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| not available | sample_1 | not available | cond_set_1 |
Software:
No software information available
NMR spectrometers:
- Varian INOVA 600 MHz
Related Database Links:
| PDB | |
| GB | AAC27664 EGH42918 KEZ71289 KFF83305 |
| REF | WP_024960070 WP_032661192 |
| SP | O86262 |
| AlphaFold | O86262 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks