BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 6778

Title: NMR and molecular dynamics studies of the interaction of melatonin with calodulin   PubMed: 15498938

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

Data sets:
Data typeCount
15N chemical shifts14
1H chemical shifts14

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1calmodulin unit A1
2calmodulin unit B1
3melatonin2

Entities:

Entity 1, calmodulin unit A 148 residues - Formula weight is not available

1   ALAASPGLNLEUTHRGLUGLUGLNILEALA
2   GLUPHELYSGLUALAPHESERLEUPHEASP
3   LYSASPGLYASPGLYTHRILETHRTHRLYS
4   GLULEUGLYTHRVALMETARGSERLEUGLY
5   GLNASNPROTHRGLUALAGLULEUGLNASP
6   METILEASNGLUVALASPALAASPGLYASN
7   GLYTHRILEASPPHEPROGLUPHELEUTHR
8   METMETALAARGLYSMETLYSASPTHRASP
9   SERGLUGLUGLUILEARGGLUALAPHEARG
10   VALPHEASPLYSASPGLYASNGLYPHEILE
11   SERALAALAGLULEUARGHISVALMETTHR
12   ASNLEUGLYGLULYSLEUTHRASPGLUGLU
13   VALASPGLUMETILEARGGLUALAASNILE
14   ASPGLYASPGLYGLNVALASNTYRGLUGLU
15   PHEVALTHRMETMETTHRSERLYS

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:

NameSampleSample stateSample conditions
unknownsample_1isotropicconditions_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