BMRB Entry 51530

Title:
Relaxation parameters of calcium loaded human calmodulin in complex with the antagonist calmidazolium at pH 7.0 and 37degC (600 MHz)
Deposition date:
2022-07-23
Original release date:
2022-07-28
Authors:
Pitard, Irene; Ladant, Daniel; Chenal, Alexandre; Guijarro, J. Inaki
Citation:

Citation: Leger, Corentin; Pitard, Irene; Sadi, Mirko; Carvalho, Nicolas; Brier, Sebastien; Mechaly, Ariel; Raoux-Barbot, Dorothee; Davi, Maryline; Hoos, Sylviane; Weber, Patrick; Vachette, Patrice; Durand, Dominique; Haouz, Ahmed; Guijarro, J. Inaki; Ladant, Daniel; Chenal, Alexandre. "Dynamics and structural changes of calmodulin upon interaction with the antagonist calmidazolium"  BMC Biol. 20, 176-176 (2022).
PubMed: 35945584

Assembly members:

Assembly members:
entity_1, polymer, 148 residues, 16706.48 Da.
entity_CA, non-polymer, 40.078 Da.
entity_3, non-polymer, Formula weight is not available

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: unknown

Data sets:
Data typeCount
T1 relaxation values110
T2 relaxation values110
heteronuclear NOE values114

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1holo-calmodulin1
2calcium, 12
3calcium, 22
4calcium, 32
5calcium, 42
6calmidazolium3

Entities:

Entity 1, holo-calmodulin 148 residues - 16706.48 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, calcium, 1 - Ca - 40.078 Da.

1   CA

Entity 3, calmidazolium - Formula weight is not available

Samples:

sample_1: Calmodulin, [U-98% 13C; U-98% 15N], 0.265 mM; calcium 2 mM; HEPES 20 mM; sodium chloride 100 mM; D2O 5%; DMSO-d6, [U-98% 2H], 4%; calmidazolium 0.265 mM

sample_conditions_1: ionic strength: 128 mM; pH: 7; pressure: 1 atm; temperature: 310.15 K

Experiments:

NameSampleSample stateSample conditions
T2/R2 relaxationsample_1isotropicsample_conditions_1
T1/R1 relaxationsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1

Software:

NMRView v5.3 - peak picking

TOPSPIN v3.6 - collection

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

Related Database Links:

UNP p0-dp23 - CALM1_HUMAN