BMRB Entry 6778
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6778
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Title: NMR and molecular dynamics studies of the interaction of melatonin with calodulin PubMed: 15498938
Deposition date: 2005-08-16 Original release date: 2013-02-15
Authors: Turjanski, Adrian; Estrin, Dario; Rosenstein, Ruth; McCormick, John; Martin, Stephen; Pastore, Annalisa; Biekofsky, Rodolfo; Martorana, Vincenzo
Citation: Turjanski, Adrian; Estrin, Dario; Rosenstein, Ruth; McCormick, John; Martin, Stephen; Pastore, Annalisa; Biekofsky, Rodolfo; Martorana, Vincenzo. "NMR and molecular dynamics studies of the interaction of melatonin with calmodulin." Protein Sci. 13, 2925-2935 (2004).
Assembly members:
calmodulin, polymer, 148 residues, Formula weight is not available
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
calmodulin: ADQLTEEQIAEFKEAFSLFD
KDGDGTITTKELGTVMRSLG
QNPTEAELQDMINEVDADGN
GTIDFPEFLTMMARKMKDTD
SEEEIREAFRVFDKDGNGFI
SAAELRHVMTNLGEKLTDEE
VDEMIREANIDGDGQVNYEE
FVTMMTSK
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 14 |
| 1H chemical shifts | 14 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | calmodulin unit A | 1 |
| 2 | calmodulin unit B | 1 |
| 3 | melatonin | 2 |
Entities:
Entity 1, calmodulin unit A 148 residues - Formula weight is not available
| 1 | ALA | ASP | GLN | LEU | THR | GLU | GLU | GLN | ILE | ALA | ||||
| 2 | GLU | PHE | LYS | GLU | ALA | PHE | SER | LEU | PHE | ASP | ||||
| 3 | LYS | ASP | GLY | ASP | GLY | THR | ILE | THR | THR | LYS | ||||
| 4 | GLU | LEU | GLY | THR | VAL | MET | ARG | SER | LEU | GLY | ||||
| 5 | GLN | ASN | PRO | THR | GLU | ALA | GLU | LEU | GLN | ASP | ||||
| 6 | MET | ILE | ASN | GLU | VAL | ASP | ALA | ASP | GLY | ASN | ||||
| 7 | GLY | THR | ILE | ASP | PHE | PRO | GLU | PHE | LEU | THR | ||||
| 8 | MET | MET | ALA | ARG | LYS | MET | LYS | ASP | THR | ASP | ||||
| 9 | SER | GLU | GLU | GLU | ILE | ARG | GLU | ALA | PHE | ARG | ||||
| 10 | VAL | PHE | ASP | LYS | ASP | GLY | ASN | GLY | PHE | ILE | ||||
| 11 | SER | ALA | ALA | GLU | LEU | ARG | HIS | VAL | MET | THR | ||||
| 12 | ASN | LEU | GLY | GLU | LYS | LEU | THR | ASP | GLU | GLU | ||||
| 13 | VAL | ASP | GLU | MET | ILE | ARG | GLU | ALA | ASN | ILE | ||||
| 14 | ASP | GLY | ASP | GLY | GLN | VAL | ASN | TYR | GLU | GLU | ||||
| 15 | PHE | VAL | THR | MET | MET | THR | SER | LYS |
Entity 2, melatonin - Formula weight is not available
Samples:
sample_1: calmodulin, [15N], 1.08 mM; KCl 0.1 M
conditions_1: pH: 6.8; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| unknown | sample_1 | isotropic | conditions_1 |
Software:
NMRPipe - specta processing
XEASY - specta analysis
NMR spectrometers:
- Unity Plus 600 Varian 600 MHz
- Unity Plus 500 Varian 500 MHz
Related Database Links:
| BMRB | 15184 15185 15186 15191 15470 15624 1634 16418 16465 1648 16764 17264 17360 17771 17807 18027 18028 18556 19036 19238 19586 19604 26503 4056 5227 547 6541 6798 6802 6825 6830 6831 7018 7028 7029 7030 7031 |
| PDB | |
| DBJ | BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 |
| EMBL | CAA10601 CAA32050 CAA32062 CAA32119 CAA32120 |
| GB | AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 |
| PIR | JC1305 MCON |
| PRF | 0711223A |
| REF | NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 |
| SP | O02367 O16305 O96081 P02595 P05932 |
| TPG | DAA19590 DAA24777 DAA24988 |
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