BMRB Entry 6778

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:

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:

Assembly members:
CaM, polymer, 148 residues, Formula weight is not available
entity_ML1, non-polymer, 232.278 Da.

Natural source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:   Production method: recombinant technology

Experimental source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:   Production method: recombinant technology

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 - C13 H16 N2 O2 - 232.278 Da.

1   ML1

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

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks