BMRB Entry 17866
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17866
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Title: 1H,15N and 13C backbone and side chain chemical shifts of human halo S100P PubMed: 22311340
Deposition date: 2011-08-17 Original release date: 2012-03-09
Authors: Rao, Penumutchu; 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:
S100P, polymer, 95 residues, 10399.873 Da.
Natural source: Common Name: Human Taxonomy ID: 9616 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
S100P: MTELETAMGMIIDVFSRYSG
SEGSTQTLTKGELKVLMEKE
LPGFLQSGKDKDAVDKLLKD
LDANGDAQVDFSEFIVFVAA
ITSACHKYFEKAGLK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 327 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 536 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100P | 1 |
Entities:
Entity 1, S100P 95 residues - 10399.873 Da.
| 1 | MET | THR | GLU | LEU | GLU | THR | ALA | MET | GLY | MET | ||||
| 2 | ILE | ILE | ASP | VAL | PHE | SER | ARG | TYR | SER | GLY | ||||
| 3 | SER | GLU | GLY | SER | THR | GLN | THR | LEU | THR | LYS | ||||
| 4 | GLY | GLU | LEU | LYS | VAL | LEU | MET | GLU | LYS | GLU | ||||
| 5 | LEU | PRO | GLY | PHE | LEU | GLN | SER | GLY | LYS | ASP | ||||
| 6 | LYS | ASP | ALA | VAL | ASP | LYS | LEU | LEU | LYS | ASP | ||||
| 7 | LEU | ASP | ALA | ASN | GLY | ASP | ALA | GLN | VAL | ASP | ||||
| 8 | PHE | SER | GLU | PHE | ILE | VAL | PHE | VAL | ALA | ALA | ||||
| 9 | ILE | THR | SER | ALA | CYS | HIS | LYS | TYR | PHE | GLU | ||||
| 10 | LYS | ALA | GLY | LEU | LYS |
Samples:
sample_1: S100P, [U-100% 13C; U-100% 15N], 1.0 mM; TRIS 20 mM; potassium chloride 100 mM; sodium azide 0.1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 298 K
Experiments:
| 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 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 HN(CA)CO | 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 C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
VNMR, Varian - collection, processing
SPARKY, Goddard - chemical shift assignment, data analysis, data analysis
NMR spectrometers:
- Varian VNMR 700 MHz
Related Database Links:
| PDB | |
| DBJ | BAJ20330 |
| EMBL | CAA46566 |
| GB | AAB21475 AAH06819 AAO41114 AAP35953 AAS00487 |
| REF | NP_005971 XP_001091876 XP_002814597 XP_003310290 XP_003816512 |
| SP | P25815 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts