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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51532
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: Roth, Heidi; De Lima Leite, Aline; Palermo, Nick; Powers, Robert. "Leveraging the Structure of DNAJA1 to Discover Novel Potential Pancreatic Cancer Therapies" Biomolecules 12, 1391-1391 (2022).
PubMed: 36291603
Assembly members:
entity_1, polymer, 99 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: pET15_NESG
Entity Sequences (FASTA):
entity_1: DVLGVKPNATQEELKKAYRK
LALKYHPDKNPNEGEKFKQI
SQAYEVLSDAKKRELYDKGG
EQAIKEGGAGGGFGSPMDIF
DMFFGGGGRMQRERRGKNV
Data type | Count |
13C chemical shifts | 420 |
15N chemical shifts | 89 |
1H chemical shifts | 587 |
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | DNAJA1-107 monomer | 1 |
Entity 1, DNAJA1-107 monomer 99 residues - Formula weight is not available
1 | ASP | VAL | LEU | GLY | VAL | LYS | PRO | ASN | ALA | THR | ||||
2 | GLN | GLU | GLU | LEU | LYS | LYS | ALA | TYR | ARG | LYS | ||||
3 | LEU | ALA | LEU | LYS | TYR | HIS | PRO | ASP | LYS | ASN | ||||
4 | PRO | ASN | GLU | GLY | GLU | LYS | PHE | LYS | GLN | ILE | ||||
5 | SER | GLN | ALA | TYR | GLU | VAL | LEU | SER | ASP | ALA | ||||
6 | LYS | LYS | ARG | GLU | LEU | TYR | ASP | LYS | GLY | GLY | ||||
7 | GLU | GLN | ALA | ILE | LYS | GLU | GLY | GLY | ALA | GLY | ||||
8 | GLY | GLY | PHE | GLY | SER | PRO | MET | ASP | ILE | PHE | ||||
9 | ASP | MET | PHE | PHE | GLY | GLY | GLY | GLY | ARG | MET | ||||
10 | GLN | ARG | GLU | ARG | ARG | GLY | LYS | ASN | VAL |
sample_1: DNAJA1-107 monomer, [U-99% 13C; U-99% 15N], 1 mM; NaCl 100 mM; CaCl2 5 mM
sample_2: DNAJA1-107 monomer, [U-99% 13C; U-99% 15N], 1 mM; NaCl 100 mM; CaCl2 5 mM
sample_conditions_1: ionic strength: 105 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
3D HNCO | sample_1 | isotropic | sample_conditions_1 |
3D HCC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
3D CC(CO)NH | sample_1 | isotropic | sample_conditions_1 |
3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
NMRPipe - processing
CcpNMR - chemical shift assignment
CS-Rosetta - structure solution
X-PLOR NIH - refinement
TOPSPIN - collection
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks