BMRB Entry 26956
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR26956
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NMR-STAR v3 text file.
XML gzip file.
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Citation: Biri-Kovacs, Beata; Kiss, Bence; Vadaszi, Henrietta; Gogl, Gergo; Palfy, Gyula; Homolya, Laszlo; Bodor, Andrea; Nyitray, Laszlo. "Ezrin interacts with S100A4 via both its N- and C-terminal domains" PLoS ONE 12, e0177489-e0177489 (2017).
PubMed: 28493957
Assembly members:
S100A4d9, polymer, 95 residues, 10884.45 Da.
C-ERMAD, polymer, 74 residues, 8824.83 Da.
entity_CA, non-polymer, 40.078 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET
Entity Sequences (FASTA):
S100A4d9: GSHMACPLEKALDVMVSTFH
KYSGKEGDKFKLNKSELKEL
LTRELPSFLGKRTDEAAFQK
LMSNLDSNRDNEVDFQEYCV
FLSCIAMMCNEFFEG
C-ERMAD: GSCKRITEAEKNERVQRQLL
TLSSELSQARDENKRTHNDI
IHNENMRQGRDKYKTLRQIR
QGNTKQRIDEFEAL
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 89 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100A4d9, 1 | 1 |
| 2 | S100A4d9, 2 | 1 |
| 3 | C-ERMAD | 2 |
| 4 | CALCIUM ION, 1 | 3 |
| 5 | CALCIUM ION, 2 | 3 |
| 6 | CALCIUM ION, 3 | 3 |
| 7 | CALCIUM ION, 4 | 3 |
Entities:
Entity 1, S100A4d9, 1 95 residues - 10884.45 Da.
| 1 | GLY | SER | HIS | MET | ALA | CYS | PRO | LEU | GLU | LYS | ||||
| 2 | ALA | LEU | ASP | VAL | MET | VAL | SER | THR | PHE | HIS | ||||
| 3 | LYS | TYR | SER | GLY | LYS | GLU | GLY | ASP | LYS | PHE | ||||
| 4 | LYS | LEU | ASN | LYS | SER | GLU | LEU | LYS | GLU | LEU | ||||
| 5 | LEU | THR | ARG | GLU | LEU | PRO | SER | PHE | LEU | GLY | ||||
| 6 | LYS | ARG | THR | ASP | GLU | ALA | ALA | PHE | GLN | LYS | ||||
| 7 | LEU | MET | SER | ASN | LEU | ASP | SER | ASN | ARG | ASP | ||||
| 8 | ASN | GLU | VAL | ASP | PHE | GLN | GLU | TYR | CYS | VAL | ||||
| 9 | PHE | LEU | SER | CYS | ILE | ALA | MET | MET | CYS | ASN | ||||
| 10 | GLU | PHE | PHE | GLU | GLY |
Entity 2, C-ERMAD 74 residues - 8824.83 Da.
| 1 | GLY | SER | CYS | LYS | ARG | ILE | THR | GLU | ALA | GLU | ||||
| 2 | LYS | ASN | GLU | ARG | VAL | GLN | ARG | GLN | LEU | LEU | ||||
| 3 | THR | LEU | SER | SER | GLU | LEU | SER | GLN | ALA | ARG | ||||
| 4 | ASP | GLU | ASN | LYS | ARG | THR | HIS | ASN | ASP | ILE | ||||
| 5 | ILE | HIS | ASN | GLU | ASN | MET | ARG | GLN | GLY | ARG | ||||
| 6 | ASP | LYS | TYR | LYS | THR | LEU | ARG | GLN | ILE | ARG | ||||
| 7 | GLN | GLY | ASN | THR | LYS | GLN | ARG | ILE | ASP | GLU | ||||
| 8 | PHE | GLU | ALA | LEU |
Entity 3, CALCIUM ION, 1 - Ca - 40.078 Da.
| 1 | CA |
Samples:
sample_1: S100A4d9, [U-100% 15N], 0.4 mM; C-ERMAD 0.6 mM; MES 20 mM; NaCl 150 mM; CaCl2 10 mM; TCEP 5 mM; NaN3 3 mM; D2O, [U-100% 2H], 50 uL; DSS 5 uL
sample_conditions_1: ionic strength: 0.17 M; pH: 6.0; pressure: 1 atm; temperature: 300 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN, Bruker Biospin - collection
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance III 700 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks