BMRB Entry 15602
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15602
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Title: 1H, 13C and 15N chemical shift assignments of human PARP-1 domain C PubMed: 18452307
Deposition date: 2007-12-20 Original release date: 2008-05-05
Authors: Hoffman, David; Tao, Zhihua; Liu, Hung-wen
Citation: Tao, Zhihua; Gao, Peng; Hoffman, David; Liu, Hung-wen. "Domain C of Human Poly(ADP-ribose) Polymerase-1 is Important for Enzyme Activity and Contains a Novel Zinc-ribbon Motif" Biochemistry 47, 5804-5813 (2008).
Assembly members:
domain_C_of_human_PARP-1, polymer, 144 residues, Formula weight is not available
ZN, non-polymer, 65.409 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):
domain_C_of_human_PARP-1: GHMKLEKALKAQNDLIWNIK
DELKKVCSTNDLKELLIFNK
QQVPSGESAILDRVADGMVF
GALLPCEECSGQLVFKSDAY
YCTGDVTAWTKCMVKTQTPN
RKEWVTPKEFREISYLKKLK
VKKQDRIFPPETSASVAATP
PPST
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 446 |
| 15N chemical shifts | 141 |
| 1H chemical shifts | 847 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | domain C polypeptide | 1 |
| 2 | zinc | 2 |
Entities:
Entity 1, domain C polypeptide 144 residues - Formula weight is not available
| 1 | GLY | HIS | MET | LYS | LEU | GLU | LYS | ALA | LEU | LYS | ||||
| 2 | ALA | GLN | ASN | ASP | LEU | ILE | TRP | ASN | ILE | LYS | ||||
| 3 | ASP | GLU | LEU | LYS | LYS | VAL | CYS | SER | THR | ASN | ||||
| 4 | ASP | LEU | LYS | GLU | LEU | LEU | ILE | PHE | ASN | LYS | ||||
| 5 | GLN | GLN | VAL | PRO | SER | GLY | GLU | SER | ALA | ILE | ||||
| 6 | LEU | ASP | ARG | VAL | ALA | ASP | GLY | MET | VAL | PHE | ||||
| 7 | GLY | ALA | LEU | LEU | PRO | CYS | GLU | GLU | CYS | SER | ||||
| 8 | GLY | GLN | LEU | VAL | PHE | LYS | SER | ASP | ALA | TYR | ||||
| 9 | TYR | CYS | THR | GLY | ASP | VAL | THR | ALA | TRP | THR | ||||
| 10 | LYS | CYS | MET | VAL | LYS | THR | GLN | THR | PRO | ASN | ||||
| 11 | ARG | LYS | GLU | TRP | VAL | THR | PRO | LYS | GLU | PHE | ||||
| 12 | ARG | GLU | ILE | SER | TYR | LEU | LYS | LYS | LEU | LYS | ||||
| 13 | VAL | LYS | LYS | GLN | ASP | ARG | ILE | PHE | PRO | PRO | ||||
| 14 | GLU | THR | SER | ALA | SER | VAL | ALA | ALA | THR | PRO | ||||
| 15 | PRO | PRO | SER | THR |
Entity 2, zinc - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: domain C of human PARP-1, [U-13C; U-15N], 1 mM; sodium phosphate buffer 10 mM; NaCl 250 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 260 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HACACBCO | sample_1 | isotropic | sample_conditions_1 |
| 3D TOCSY-HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY, Goddard - display NMR spectrum
NMR spectrometers:
- Varian INOVA 500 MHz
Related Database Links:
| PDB | |
| DBJ | BAG10250 BAG35260 BAG64403 |
| GB | AAA51663 AAA60137 AAA60155 AAB59447 AAH37545 |
| REF | NP_001609 XP_001090628 XP_001090984 XP_002809428 XP_003357689 |
| SP | P09874 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts