BMRB Entry 18299
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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/BMR18299
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Title: Solution structure of the K60A mutant of Atox1
Deposition date: 2012-02-28 Original release date: 2013-03-25
Authors: Xi, Zhaoyong; Shi, Chaowei; Lai, Chaohua; Tian, Changlin; Liu, Yangzhong
Citation: Xi, Zhaoyong; Shi, Chaowei; Lai, Chaohua; Tian, Changlin; Liu, Yangzhong. "Solution structure of the K60A mutant of Atox1" Not known ., .-..
Assembly members:
entity, polymer, 68 residues, 7354.592 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):
entity: MPKHEFSVDMTCGGCAEAVS
RVLNKLGGVKYDIDLPNKKV
CIESEHSMDTLLATLKKTGA
TVSYLGLE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 259 |
| 15N chemical shifts | 68 |
| 1H chemical shifts | 387 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | K60A mutant of Atox1 | 1 |
Entities:
Entity 1, K60A mutant of Atox1 68 residues - 7354.592 Da.
| 1 | MET | PRO | LYS | HIS | GLU | PHE | SER | VAL | ASP | MET | ||||
| 2 | THR | CYS | GLY | GLY | CYS | ALA | GLU | ALA | VAL | SER | ||||
| 3 | ARG | VAL | LEU | ASN | LYS | LEU | GLY | GLY | VAL | LYS | ||||
| 4 | TYR | ASP | ILE | ASP | LEU | PRO | ASN | LYS | LYS | VAL | ||||
| 5 | CYS | ILE | GLU | SER | GLU | HIS | SER | MET | ASP | THR | ||||
| 6 | LEU | LEU | ALA | THR | LEU | LYS | LYS | THR | GLY | ALA | ||||
| 7 | THR | VAL | SER | TYR | LEU | GLY | LEU | GLU |
Samples:
sample_1: K60A, [U-100% 13C; U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; H2O 90%; D2O 10%
sample_2: K60A, [U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; H2O 90%; D2O 10%
sample_3: K60A, [U-100% 13C; U-100% 15N], 0.4 – 0.5 mM; sodium phosphate 100 mM; DTT2 – 2.5 mM; D2O 100%
sample_conditions_1: ionic strength: 0.215 M; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_2 | 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_3 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking
SPARKY, Goddard - chemical shift assignment, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAF85752 |
| EMBL | CAG33182 |
| GB | AAC51227 AAI12249 AAI12251 AAN84554 AAP88788 |
| REF | NP_004036 XP_001169183 XP_002816151 XP_003829035 XP_004042903 |
| SP | O00244 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts