BMRB Entry 27740

Title:
Backbone chemical shift assignments of the calcium-saturated human calmodulin C-domain bound to the human NaV1.2 IQ motif peptide
Deposition date:
2018-12-21
Original release date:
2021-07-21
Authors:
Mahling, Ryan; Shea, Madeline
Citation:

Citation: Mahling, Ryan; Hovey, Liam; Isbell, Holly; Marx, Dagan; Miller, Mark; Kilpatrick, Adina; Weaver, Lisa; Yoder, Jesse; Kim, Elaine; Andresen, Corinne; Li, Shuxiang; Shea, Madeline. "Na V 1.2 EFL domain allosterically enhances Ca 2+ binding to sites I and II of WT and pathogenic calmodulin mutants bound to the channel CTD"  Structure 29, 1339-1356 (2021).
PubMed: 33770503

Assembly members:

Assembly members:
Calmodulin_C-domain, polymer, 73 residues, Formula weight is not available
voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide, polymer, 31 residues, Formula weight is not available
entity_CA, non-polymer, 40.078 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pT7-7

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin_C-domain: MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEEFVQMMTAK
voltage-gated_sodium_channel_NaV1.2_IQ_motif_peptide: GPGSKRKQEEVSAIIIQRAY RRYLLKQKVKK

Data sets:
Data typeCount
13C chemical shifts291
15N chemical shifts97
1H chemical shifts97

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Calmodulin C-domain1
2Nav2
3Calcium, 13
4Calcium, 23

Entities:

Entity 1, Calmodulin C-domain 73 residues - Formula weight is not available

Initial methionine is residue 76 of calmodulin

1   METLYSASPTHRASPSERGLUGLUGLUILE
2   ARGGLUALAPHEARGVALPHEASPLYSASP
3   GLYASNGLYTYRILESERALAALAGLULEU
4   ARGHISVALMETTHRASNLEUGLYGLULYS
5   LEUTHRASPGLUGLUVALASPGLUMETILE
6   ARGGLUALAASPILEASPGLYASPGLYGLN
7   VALASNTYRGLUGLUPHEVALGLNMETMET
8   THRALALYS

Entity 2, Nav 31 residues - Formula weight is not available

First four residues (GPGS) are part of a 3C protease cleavage site (numbered -4 to -1). NaV1.2 residue 1901 is residue 5 of the peptide.

1   GLYPROGLYSERLYSARGLYSGLNGLUGLU
2   VALSERALAILEILEILEGLNARGALATYR
3   ARGARGTYRLEULEULYSGLNLYSVALLYS
4   LYS

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

1   CA

Samples:

sample_1: Calmodulin C-domain, [U-99% 13C; U-99% 15N], 0.8 mM; voltage-gated sodium channel NaV1.2 IQ motif peptide, [U-99% 13C; U-99% 15N], 0.8 mM; imidazole 10 mM; potassium chloride 100 mM; sodium azide 0.01 % w/v; calcium chloride, [U-99% 13C; U-99% 15N], 10 mM

sample_conditions_1: ionic strength: 120 mM; pH: 6.5; pressure: 1 atm; temperature: 298 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

Software:

VNMRJ, Varian - collection

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

Analysis, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

UNP P62158 Q99250
NCBI AAD45181.1 NP_001035232.1
AlphaFold Q9BZD0

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