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 18302

Title: Solution structure of the calcium-bound CaM N-terminal domain in a complex.   PubMed: 22518098

Deposition date: 2012-02-29 Original release date: 2012-06-04

Authors: Liu, Zhihong

Citation: Liu, Zhihong; Vogel, Hans. "Structural basis for the regulation of L-type voltage-gated calcium channels: interactions between the N-terminal cytoplasmic domain and Ca(2+)-calmodulin."  Front. Mol. Neurosci. 5, 38-38 (2012).

Assembly members:
CaM N-terminal domain, polymer, 77 residues, 8583.593 Da.
NSCaTE peptide, polymer, 24 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
CaM N-terminal domain: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMK
NSCaTE peptide: GTGAALSWQAAIDAARQAKL MGSA

Data sets:
Data typeCount
13C chemical shifts364
15N chemical shifts95
1H chemical shifts447

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CaM N-terminal domain1
2NSCaTE peptide2
3Calcium ion, 13
4Calcium ion, 23

Entities:

Entity 1, CaM N-terminal domain 77 residues - 8583.593 Da.

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

Entity 2, NSCaTE peptide 24 residues - Formula weight is not available

1   GLYTHRGLYALAALALEUSERTRPGLNALA
2   ALAILEASPALAALAARGGLNALALYSLEU
3   METGLYSERALA

Entity 3, Calcium ion, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: calmodulin, [U-100% 13C; U-100% 15N], 1 mM; NSCaTE peptide 2 mM; H2O 55 M; D2O, [U-99% 2H], 5 M; DTT 10 mM; TRIS 20 mM

sample_2: NSCaTE peptide, [U-100% 13C; U-100% 15N], 1 mM; calmodulin 0.5 mM; H2O 55 M; D2O, [U-99% 2H], 5 M; DTT 10 mM; TRIS 20 mM

sample_3: calmodulin, [U-100% 13C; U-100% 15N], 1 mM; NSCaTE peptide 2 mM; Pf1 phage 7.5 mg

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_3anisotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

TALOS, Cornilescu, Delaglio and Bax - data analysis

xwinnmr, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 500 MHz

Related Database Links:

BMRB 18082 4174
PDB
EMBL CAA29381 CAB65357 CCD82979 CUA69889 CAA12174 CAA33546 CAA39289 CAA43196 CAA84340
GB AAH53790 ABW89042 ABW89043 ABW89044 ABW89045 AAA02501 AAA17030 AAA42016 AAA51899 AAA51900
REF XP_001869424 XP_001995129 XP_002772218 XP_006032607 XP_006137175 NP_000710 NP_001123299 NP_001123301 NP_001123302 NP_001123303
DBJ BAF03165
PRF 1512308A
SP P15381 Q01815 Q13936
TPG DAA29184

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