BMRB Entry 18854
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR18854
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Title: 1H,15N and 13C backbone chemical shifts of Human Halo S100A6 C3S PubMed: 22311340
Deposition date: 2012-11-23 Original release date: 2014-02-14
Authors: Gupta, Arun; Yu, Chin
Citation: Gupta, Arun; Mohan, Sepuru; Chin, Yu. "1H, 13C and 15N backbone and side chain resonance assignments of human halo S100A1." Biomol. NMR Assignments 6, 213-215 (2012).
Assembly members:
Human_S100A6_C3S, polymer, 90 residues, 10163.8 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):
Human_S100A6_C3S: MASPLDQAIGLLVAIFHKYS
GREGDKHTLSKKELKELIQK
ELTIGSKLQDAEIARLMEDL
DRNKDQEVNFQEYVTFLGAL
ALIYNEALKG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 194 |
| 15N chemical shifts | 83 |
| 1H chemical shifts | 83 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Human S100A6 C3S | 1 |
Entities:
Entity 1, Human S100A6 C3S 90 residues - 10163.8 Da.
| 1 | MET | ALA | SER | PRO | LEU | ASP | GLN | ALA | ILE | GLY | |
| 2 | LEU | LEU | VAL | ALA | ILE | PHE | HIS | LYS | TYR | SER | |
| 3 | GLY | ARG | GLU | GLY | ASP | LYS | HIS | THR | LEU | SER | |
| 4 | LYS | LYS | GLU | LEU | LYS | GLU | LEU | ILE | GLN | LYS | |
| 5 | GLU | LEU | THR | ILE | GLY | SER | LYS | LEU | GLN | ASP | |
| 6 | ALA | GLU | ILE | ALA | ARG | LEU | MET | GLU | ASP | LEU | |
| 7 | ASP | ARG | ASN | LYS | ASP | GLN | GLU | VAL | ASN | PHE | |
| 8 | GLN | GLU | TYR | VAL | THR | PHE | LEU | GLY | ALA | LEU | |
| 9 | ALA | LEU | ILE | TYR | ASN | GLU | ALA | LEU | LYS | GLY |
Samples:
sample_1: Human S100A6 C3S, [U-100% 13C; U-100% 15N], 1 – 1.5 mM; TRIS 20 mM; Calcium chloride 10 mM; sodium azide 0.01%; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMRJ v2.3, Varian - collection, processing
SPARKY, Goddard - chemical shift assignment, data analysis, peak picking
NMR spectrometers:
- Varian INOVA 700 MHz
Related Database Links:
| BMRB | 18868 |
| PDB | |
| DBJ | BAG35024 BAG74211 |
| GB | AAA35886 AAA51905 AAA51906 AAH01431 AAH09017 |
| REF | NP_001248728 NP_055439 XP_002760026 XP_002810202 XP_003259360 |
| SP | P06703 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts