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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/BMR17158
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Eustermann, Sebastian; Videler, Hortense; Yang, Ji-Chun; Cole, Paul; Gruszka, Dominika; Veprintsev, Dmitry; Neuhaus, David. "The DNA-Binding Domain of Human PARP-1 Interacts with DNA Single-Strand Breaks as a Monomer through Its Second Zinc Finger." J. Mol. Biol. 407, 149-170 (2011).
PubMed: 21262234
Assembly members:
PARP-1_Finger_2, polymer, 112 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 Vector: PET28A
Entity Sequences (FASTA):
PARP-1_Finger_2: GSKAEKTLGDFAAEYAKSNR
STCKGCMEKIEKGQVRLSKK
MVDPEKPQLGMIDRWYHPGC
FVKNREELGFRPEYSASQLK
GFSLLATEDKEALKKQLPGV
KSEGKRKGDEVD
Data type | Count |
13C chemical shifts | 366 |
15N chemical shifts | 110 |
1H chemical shifts | 693 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | PARP-1 Finger 2 | 1 |
2 | ZINC ION | 2 |
Entity 1, PARP-1 Finger 2 112 residues - Formula weight is not available
1 | GLY | SER | LYS | ALA | GLU | LYS | THR | LEU | GLY | ASP | ||||
2 | PHE | ALA | ALA | GLU | TYR | ALA | LYS | SER | ASN | ARG | ||||
3 | SER | THR | CYS | LYS | GLY | CYS | MET | GLU | LYS | ILE | ||||
4 | GLU | LYS | GLY | GLN | VAL | ARG | LEU | SER | LYS | LYS | ||||
5 | MET | VAL | ASP | PRO | GLU | LYS | PRO | GLN | LEU | GLY | ||||
6 | MET | ILE | ASP | ARG | TRP | TYR | HIS | PRO | GLY | CYS | ||||
7 | PHE | VAL | LYS | ASN | ARG | GLU | GLU | LEU | GLY | PHE | ||||
8 | ARG | PRO | GLU | TYR | SER | ALA | SER | GLN | LEU | LYS | ||||
9 | GLY | PHE | SER | LEU | LEU | ALA | THR | GLU | ASP | LYS | ||||
10 | GLU | ALA | LEU | LYS | LYS | GLN | LEU | PRO | GLY | VAL | ||||
11 | LYS | SER | GLU | GLY | LYS | ARG | LYS | GLY | ASP | GLU | ||||
12 | VAL | ASP |
Entity 2, ZINC ION - Zn - 65.409 Da.
1 | ZN |
sample_1: PARP-1 Finger 2, [U-98% 15N; U-98% 13C], 0.5 1 mM; TRIS, [U-99% 2H], 50 mM; sodium chloride 200 mM; zinc sulfate 150 uM; DTT, [U-99% 2H], 4 mM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 0.201 M; pH: 7.0; pressure: 1 atm; temperature: 300 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
2D 1H-1H NOESY 15N-filtered | sample_1 | isotropic | sample_conditions_1 |
3D CBCAHN | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HBHAHN | sample_1 | isotropic | sample_conditions_1 |
3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D [1H-13C-1H] HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D [13C-13C-1H] HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
ATHNOS-CANDID, Herrmann, Guntert and Wuthrich - structure solution
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks