BMRB Entry 19163
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19163
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Title: The solution structure of the J-domain of human DnaJA1 PubMed: 24512202
Deposition date: 2013-04-14 Original release date: 2013-06-24
Authors: Stark, Jaime; Mehla, Kamiya; Chaika, Nina; Acton, Thomas; Xiao, Rong; Singh, Pankaj; Montelione, Gaetano; Powers, Robert
Citation: Stark, Jaime; Mehla, Kamiya; Chaika, Nina; Acton, Thomas; Xiao, Rong; Singh, Pankaj; Montelione, Gaetano; Powers, Robert. "Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer." Biochemistry 53, 1360-1372 (2014).
Assembly members:
J-domain_of_DnaJA1, polymer, 77 residues, 9095.388 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):
J-domain_of_DnaJA1: MGHHHHHHSHMVKETTYYDV
LGVKPNATQEELKKAYRKLA
LKYHPDKNPNEGEKFKQISQ
AYEVLSDAKKRELYDKG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 277 |
| 15N chemical shifts | 63 |
| 1H chemical shifts | 430 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | J-domain of human DnaJA1 | 1 |
Entities:
Entity 1, J-domain of human DnaJA1 77 residues - 9095.388 Da.
Residues 1-10 represent a non-native affinity tag
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | SER | HIS | ||||
| 2 | MET | VAL | LYS | GLU | THR | THR | TYR | TYR | ASP | VAL | ||||
| 3 | LEU | GLY | VAL | LYS | PRO | ASN | ALA | THR | GLN | GLU | ||||
| 4 | GLU | LEU | LYS | LYS | ALA | TYR | ARG | LYS | LEU | ALA | ||||
| 5 | LEU | LYS | TYR | HIS | PRO | ASP | LYS | ASN | PRO | ASN | ||||
| 6 | GLU | GLY | GLU | LYS | PHE | LYS | GLN | ILE | SER | GLN | ||||
| 7 | ALA | TYR | GLU | VAL | LEU | SER | ASP | ALA | LYS | LYS | ||||
| 8 | ARG | GLU | LEU | TYR | ASP | LYS | GLY |
Samples:
HR3099K.006: J-domain of DnaJA1, [U-13C; U-15N], 1.03 mM; MES 20 mM; sodium azide 0.02%; DTT 10 mM; calcium chloride 5 mM; sodium chloride 100 mM; DSS 50 uM
sample_conditions_1: ionic strength: 125 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | HR3099K.006 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HNCO | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HNCA | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D CBCANH | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HNHA | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D CC(CO)NH | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HCC(CO)NH | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | HR3099K.006 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | HR3099K.006 | isotropic | sample_conditions_1 |
Software:
ANALYSIS v2.2.2, CCPN - chemical shift assignment, data analysis, peak picking
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
PSVS, Bhattacharya and Montelione - structure validation
TOPSPIN, Bruker Biospin - collection
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement, structure solution
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
Related Database Links:
| BMRB | 18190 |
| PDB | |
| DBJ | BAA02656 BAC38744 BAC82111 BAD82815 BAE26788 |
| EMBL | CAI29674 |
| GB | AAA98855 AAC37517 AAC78597 AAH08182 AAH57876 |
| PIR | S34632 |
| REF | NP_001015637 NP_001127102 NP_001158143 NP_001158144 NP_001231092 |
| SP | P31689 P63036 P63037 Q5E954 Q5NVI9 |
| TPG | DAA12974 DAA26671 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts