BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 30156

Title: Solution NMR-derived structure of calmodulin bound with ER alpha peptides

Deposition date: 2016-08-16 Original release date: 2017-02-09

Authors: Zhang, Y.; Ames, J.

Citation: Zhang, Y.; Ames, J.. "Solution NMR-derived structure of calmodulin bound with ER alpha peptides"  .

Assembly members:
Calmodulin, polymer, 148 residues, 16721.350 Da.
Estrogen receptor peptide, polymer, 19 residues, 2202.645 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:   Common Name: African clawed frog   Taxonomy ID: 8355   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Xenopus laevis

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Calmodulin: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
Estrogen receptor peptide: RAANLWPSPLMIKRSKKNS

Data sets:
Data typeCount
13C chemical shifts437
15N chemical shifts145
1H chemical shifts600

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22
4CALCIUM ION, 13
5CALCIUM ION, 23
6CALCIUM ION, 33
7CALCIUM ION, 43

Entities:

Entity 1, entity_1 148 residues - 16721.350 Da.

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

Entity 2, entity_2, 1 19 residues - 2202.645 Da.

1   ARGALAALAASNLEUTRPPROSERPROLEU
2   METILELYSARGSERLYSLYSASNSER

Entity 3, CALCIUM ION, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: 13C/15N-CaM/ERalpha, [U-99% 13C; U-99% 15N], 0.6 mM; 15N-labeled CaM/ERalpha, [U-99% 15N], 1 mM; H2O 90%; D2O 10%; Tris-d11 20 mM; CaCl2 5 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1

Software:

HADDOCK, Bonvin - structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - refinement

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker 1 800 MHz
  • Bruker 1 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts