BMRB Entry 18082

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18082
MolProbity Validation Chart

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Title:
SOLUTION NMR-DERIVED STRUCTURE OF CALMODULIN N-LOBE BOUND WITH ER alpha PEPTIDE
Deposition date:
2011-11-15
Original release date:
2012-01-30
Authors:
Zhang, Yonghong
Citation:

Citation: Zhang, Yonghong; Li, Zhigang; Sacks, David; Ames, James. "Structural basis for Ca2+-induced activation and dimerization of estrogen receptor by calmodulin."  J. Biol. Chem. 287, 9336-9344 (2012).
PubMed: 22275375

Assembly members:

Assembly members:
Calmodulin N-Lobe, polymer, 80 residues, 8914.874 Da.
ER alpha peptide, polymer, 19 residues, 2202.663 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin N-Lobe: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD
ER alpha peptide: RAANLWPSPLMIKRSKKNS

Data sets:
Data typeCount
13C chemical shifts157
15N chemical shifts78
1H chemical shifts295

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1Calmodulin N-Lobe1
2ER alpha peptide2
3CA2_13
4CA2_23

Entities:

Entity 1, Calmodulin N-Lobe 80 residues - 8914.874 Da.

1   ALAASPGLNLEUTHRGLUGLUGLNILEALA
2   GLUPHELYSGLUALAPHESERLEUPHEASP
3   LYSASPGLYASPGLYTHRILETHRTHRLYS
4   GLULEUGLYTHRVALMETARGSERLEUGLY
5   GLNASNPROTHRGLUALAGLULEUGLNASP
6   METILEASNGLUVALASPALAASPGLYASN
7   GLYTHRILEASPPHEPROGLUPHELEUTHR
8   METMETALAARGLYSMETLYSASPTHRASP

Entity 2, ER alpha peptide 19 residues - 2202.663 Da.

1   ARGALAALAASNLEUTRPPROSERPROLEU
2   METILELYSARGSERLYSLYSASNSER

Entity 3, CA2_1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: Cal_N, [U-100% 13C; U-100% 15N], 1 mM; H20 90%; D20 10%; Tris-d11 20 mM; sodium chloride 50 mM; CaCl2 5 mM

sample_conditions_1: ionic strength: 0.02 M; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

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

Software:

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

SPARKY, Goddard - data analysis

NMR spectrometers:

  • Bruker Avance 800 MHz

Related Database Links:

BMRB 18302 4174
PDB
EMBL CAA29381 CAB65357 CCD82979 CUA69889
GB AAH53790 ABY16748 ABY16749 ABY16752 ACH46202
REF XP_001869424 XP_001995129 XP_002772218 XP_006032607 XP_006137175
AlphaFold Q9UIS7

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