BMRB Entry 4105
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR4105
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Citation: Drohat, Alexander; Baldisseri, Donna; Rustandi, Richard; Weber, David. "Solution Structure of Calcium-Bound S100B(Beta Beta) as Determined by Nuclear
Magnetic Resonance Spectroscopy" Biochemistry 37, 1951-1960 (1998).
Assembly members:
S100B, polymer, 92 residues, 21000 Da.
CALCIUM ION, non-polymer, 40.078 Da.
Natural source: Common Name: rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11b
Entity Sequences (FASTA):
S100B: MSELEKAMVALIDVFHQYSG
REGDKHKLKKSELKELINNE
LSHFLEEIKEQEVVDKVMET
LDEDGDGECDFQEFMAFVSM
VTTACHEFFEHE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 314 |
| 15N chemical shifts | 88 |
| 1H chemical shifts | 627 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100B_subunit_1 | 1 |
| 2 | S100B-subunit_2 | 1 |
| 3 | Ca2+_1 | 2 |
| 4 | Ca2+_2 | 2 |
Entities:
Entity 1, S100B_subunit_1 92 residues - 21000 Da.
| 1 | MET | SER | GLU | LEU | GLU | LYS | ALA | MET | VAL | ALA | ||||
| 2 | LEU | ILE | ASP | VAL | PHE | HIS | GLN | TYR | SER | GLY | ||||
| 3 | ARG | GLU | GLY | ASP | LYS | HIS | LYS | LEU | LYS | LYS | ||||
| 4 | SER | GLU | LEU | LYS | GLU | LEU | ILE | ASN | ASN | GLU | ||||
| 5 | LEU | SER | HIS | PHE | LEU | GLU | GLU | ILE | LYS | GLU | ||||
| 6 | GLN | GLU | VAL | VAL | ASP | LYS | VAL | MET | GLU | THR | ||||
| 7 | LEU | ASP | GLU | ASP | GLY | ASP | GLY | GLU | CYS | ASP | ||||
| 8 | PHE | GLN | GLU | PHE | MET | ALA | PHE | VAL | SER | MET | ||||
| 9 | VAL | THR | THR | ALA | CYS | HIS | GLU | PHE | PHE | GLU | ||||
| 10 | HIS | GLU |
Entity 2, Ca2+_1 - Ca - 40.078 Da.
| 1 | CA |
Related Database Links:
| BMRB | 15923 4001 4099 4702 |
| PDB | 1B4C 1DT7 1MQ1 1MWN 1QLK 1SYM 1UWO 1XYD 2H61 2K7O 2M49 2PRU 3CZT 3D0Y 3D10 3HCM 4XYN 5CSF 5CSI 5CSJ 5CSN |
| DBJ | BAB43945 BAE22214 BAE22413 BAE36647 BAE88979 |
| EMBL | CAA25567 CAG46920 |
| GB | AAA03075 AAA42096 AAA60367 AAH01766 AAH61178 |
| PRF | 2003367B |
| REF | NP_001076199 NP_001233735 NP_001247455 NP_001270589 NP_006263 |
| SP | P04271 P04631 P50114 Q6YNR6 |
| AlphaFold | P04271 P04631 P50114 Q6YNR6 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks