BMRB Entry 5838
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5838
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Citation: Bhattacharya, Shibani; Large, Edward; Heizmann, Claus; Hemmings, Brian; Chazin, Walter. "Structure of the Ca(2+)/S100B/NDR Kinase Peptide Complex: Insights into S100
Target Specificity and Activation of the Kinase" Biochemistry 42, 14416-14426 (2003).
PubMed: 14661952
Assembly members:
subunit of homodimer, polymer, 91 residues, Formula weight is not available
peptide, polymer, 26 residues, Formula weight is not available
Natural source: Common Name: Cow Taxonomy ID: 9913 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Bos taurus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pH6 TEV
Entity Sequences (FASTA):
subunit of homodimer: SELEKAVVALIDVFHQYSGR
EGDKHKLKKSELKELINNEL
SHFLEEIKEQEVVDKVMETL
DSDGDGECDFQEFMAFVAMI
TTACHEFFEHE
peptide: KRLRRSAHARKETEFLRLKR
TRLGLE
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 774 |
| 13C chemical shifts | 380 |
| 15N chemical shifts | 92 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | S100B Subunit 1 | 1 |
| 2 | S100B Subunit 2 | 1 |
| 3 | NDR kinase peptide 1 | 2 |
| 4 | NDR kinase peptide 2 | 2 |
Entities:
Entity 1, S100B Subunit 1 91 residues - Formula weight is not available
| 1 | SER | GLU | LEU | GLU | LYS | ALA | VAL | VAL | ALA | LEU | ||||
| 2 | ILE | ASP | VAL | PHE | HIS | GLN | TYR | SER | GLY | ARG | ||||
| 3 | GLU | GLY | ASP | LYS | HIS | LYS | LEU | LYS | LYS | SER | ||||
| 4 | GLU | LEU | LYS | GLU | LEU | ILE | ASN | ASN | GLU | LEU | ||||
| 5 | SER | HIS | PHE | LEU | GLU | GLU | ILE | LYS | GLU | GLN | ||||
| 6 | GLU | VAL | VAL | ASP | LYS | VAL | MET | GLU | THR | LEU | ||||
| 7 | ASP | SER | ASP | GLY | ASP | GLY | GLU | CYS | ASP | PHE | ||||
| 8 | GLN | GLU | PHE | MET | ALA | PHE | VAL | ALA | MET | ILE | ||||
| 9 | THR | THR | ALA | CYS | HIS | GLU | PHE | PHE | GLU | HIS | ||||
| 10 | GLU |
Entity 2, NDR kinase peptide 1 26 residues - Formula weight is not available
| 1 | LYS | ARG | LEU | ARG | ARG | SER | ALA | HIS | ALA | ARG | ||||
| 2 | LYS | GLU | THR | GLU | PHE | LEU | ARG | LEU | LYS | ARG | ||||
| 3 | THR | ARG | LEU | GLY | LEU | GLU |
Related Database Links:
| PDB | 1PSB |
| DBJ | BAC29170 BAC37841 BAG10255 BAG35456 BAG35456 BAC37841 BAG10255 BAC29170 |
| EMBL | CAA84485 CAH91889 CAH92600 CAH92600 CAQ51741 CAB39180 CAH91889 CAA84485 |
| GB | AAD50530 AAH09658 AAH12085 AAH95413 AAI33418 |
| REF | NP_001075071 NP_001126095 NP_001247519 NP_009202 NP_598876 XP_001116801 XP_001116805 NP_009202 NP_598876 NP_001075071 |
| SP | A2VDV2 Q15208 Q5R8M1 Q91VJ4 |
| TPG | DAA16631 |
| SWISS-PROT | Q5R8M1 Q91VJ4 A2VDV2 Q15208 |
| GenBank | AAI33418 AAH12085 AAH95413 AAD50530 AAH09658 |
| AlphaFold | A2VDV2 Q15208 Q5R8M1 Q91VJ4 |
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks