BMRB Entry 18666
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18666
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Title: Human dUTPase PubMed: 23307478
Deposition date: 2012-08-16 Original release date: 2013-02-12
Authors: Isaksson, Johan; Woestenenk, Esmeralda; Sahlberg, Christer; Agback, Tatiana
Citation: Isaksson, Johan; Woestenenk, Esmeralda; Sahlberg, Christer; Agback, Tatiana. "Backbone nuclear magnetic resonance assignment of human deoxyuridine 5'-triphosphate nucleotidohydrolase (dUTPase)." Biomol. NMR Assignments 8, 81-84 (2014).
Assembly members:
dUTPase, polymer, 148 residues, Formula weight is not available
entity_DUP, non-polymer, 467.157 Da.
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
Entity Sequences (FASTA):
dUTPase: MHHHHHHMQLRFARLSEHAT
APTRGSARAAGYDLYSAYDY
TIPPMEKAVVKTDIQIALPS
GCYGRVAPRSGLAAKHFIDV
GAGVIDEDYRGNVGVVLFNF
GKEKFEVKKGDRIAQLICER
IFYPEIEEVQALDDTERGSG
GFGSTGKN
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 345 |
| 15N chemical shifts | 119 |
| 1H chemical shifts | 119 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | dUTPase, monomer 1 | 1 |
| 2 | dUTPase, monomer 2 | 1 |
| 3 | dUTPase, monomer 3 | 1 |
| 4 | dUPNPP | 2 |
Entities:
Entity 1, dUTPase, monomer 1 148 residues - Formula weight is not available
Human dUTPase residues 24-164 + N-terminal His6-tag
| 1 | MET | HIS | HIS | HIS | HIS | HIS | HIS | MET | GLN | LEU | ||||
| 2 | ARG | PHE | ALA | ARG | LEU | SER | GLU | HIS | ALA | THR | ||||
| 3 | ALA | PRO | THR | ARG | GLY | SER | ALA | ARG | ALA | ALA | ||||
| 4 | GLY | TYR | ASP | LEU | TYR | SER | ALA | TYR | ASP | TYR | ||||
| 5 | THR | ILE | PRO | PRO | MET | GLU | LYS | ALA | VAL | VAL | ||||
| 6 | LYS | THR | ASP | ILE | GLN | ILE | ALA | LEU | PRO | SER | ||||
| 7 | GLY | CYS | TYR | GLY | ARG | VAL | ALA | PRO | ARG | SER | ||||
| 8 | GLY | LEU | ALA | ALA | LYS | HIS | PHE | ILE | ASP | VAL | ||||
| 9 | GLY | ALA | GLY | VAL | ILE | ASP | GLU | ASP | TYR | ARG | ||||
| 10 | GLY | ASN | VAL | GLY | VAL | VAL | LEU | PHE | ASN | PHE | ||||
| 11 | GLY | LYS | GLU | LYS | PHE | GLU | VAL | LYS | LYS | GLY | ||||
| 12 | ASP | ARG | ILE | ALA | GLN | LEU | ILE | CYS | GLU | ARG | ||||
| 13 | ILE | PHE | TYR | PRO | GLU | ILE | GLU | GLU | VAL | GLN | ||||
| 14 | ALA | LEU | ASP | ASP | THR | GLU | ARG | GLY | SER | GLY | ||||
| 15 | GLY | PHE | GLY | SER | THR | GLY | LYS | ASN |
Entity 2, dUPNPP - C9 H16 N3 O13 P3 - 467.157 Da.
| 1 | DUP |
Samples:
sample_1: dUTPase, [U-15N; U-13C; U-50% 2H], 1 mM; sodium phosphate 10 mM; sodium azide 0.01%; sodium chloride 50 mM; DTT, [U-2H], 1 mM; D2O, [U-2H], 10%
sample_2: dUTPase, [U-15N; U-13C; U-50% 2H], 1 mM; sodium phosphate 10 mM; sodium azide 0.01%; sodium chloride 50 mM; DTT, [U-2H], 1 mM; D2O, [U-2H], 10%; 2, -DEOXYURIDINE, ; 2
sample_conditions_1: ionic strength: 60 mM; pH: 7; pressure: 1 atm; temperature: 298 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 |
| 2D 1H-15N HSQC | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ, Varian - collection
CARA v1.8.4.2, Keller and Wuthrich - data analysis, peak picking
NMR spectrometers:
- Varian INOVA 500 MHz
Related Database Links:
| PDB | |
| BMRB | 18665 |
| DBJ | BAB13724 BAE87930 BAE90113 BAE90827 BAF84204 |
| EMBL | CAG46521 CAG46580 |
| GB | AAA36801 AAA58444 AAB71393 AAB71394 AAB94642 |
| PRF | 2211321A |
| REF | NP_001020419 NP_001020420 NP_001939 XP_001084330 XP_001105874 |
| SP | P33316 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts