BMRB Entry 34262

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34262
MolProbity Validation Chart

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Title:
Calcium bound form of human calmodulin mutant F141L
Deposition date:
2018-04-23
Original release date:
2018-11-09
Authors:
Grachov, O.; Holt, C.; Overgaard, M.; Wimmer, R.
Citation:

Citation: Wang, K.; Holt, C.; Lu, J.; Brohus, M.; Larsen, K.; Overgaard, M.; Wimmer, R.; van Petegem, F.. "Arrhythmia mutations in calmodulin cause conformational changes that affect interactions with the cardiac voltage-gated calcium channel"  Proc. Natl. Acad. Sci. U.S.A. 115, E10556-E10565 (2018).
PubMed: 30348784

Assembly members:

Assembly members:
entity_1, polymer, 148 residues, 16687.334 Da.
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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE LVQMMTAK

Data sets:
Data typeCount
13C chemical shifts602
15N chemical shifts151
1H chemical shifts797
T1 relaxation values143
T2 relaxation values143
heteronuclear NOE values143

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_2, 12
3entity_2, 22
4entity_2, 32
5entity_2, 42

Entities:

Entity 1, entity_1 148 residues - 16687.334 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   LEUVALGLNMETMETTHRALALYS

Entity 2, entity_2, 1 - Ca - 40.078 Da.

1   CA

Samples:

sample_1: Calmodulin mutant F141L, [U-13C; U-15N], 0.53 mM; calcium chloride, NA, 10 mM; potassium chloride, NA, 10 mM; HEPES, NA, 2 mM; sodium azide, NA, 2 mM; TSP, NA, 0.1 mM

sample_conditions_1: ionic strength: 24 mM; pH: 6.45 pH*; pressure: 1 bar; temperature: 298.1 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D-15N-edited TOCSYsample_1isotropicsample_conditions_1
2D-CACOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D (H)CC(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
2D-NCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
2D (HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
2D (HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1
3D 15N-edited NOESYsample_1isotropicsample_conditions_1
3D 13C-edited NOESY aliphaticsample_1isotropicsample_conditions_1
3D 13C-edited NOESY aromaticsample_1isotropicsample_conditions_1
15N T1sample_1isotropicsample_conditions_1
15N T2sample_1isotropicsample_conditions_1
{1H}-15N-NOEsample_1isotropicsample_conditions_1

Software:

YASARA v18.2.7, Krieger and Vriend - refinement

CYANA v3.97, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.8.4, Keller and Wuthrich - chemical shift assignment, peak picking

CARA v1.5.5, Keller and Wuthrich - peak picking

NMR spectrometers:

  • Bruker AvanceIII 600 MHz

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