BMRB Entry 17264

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17264
MolProbity Validation Chart

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Title:
Solution NMR Structure of apo-calmodulin in complex with the IQ motif of Human Cardiac Sodium Channel NaV1.5
Deposition date:
2010-10-24
Original release date:
2010-12-22
Authors:
Chagot, Benjamin; Chazin, Walter
Citation:

Citation: Chagot, Benjamin; Chazin, Walter. "Solution NMR Structure of Apo-Calmodulin in Complex with the IQ Motif of Human Cardiac Sodium Channel NaV1.5."  J. Mol. Biol. 406, 106-119 (2011).
PubMed: 21167176

Assembly members:

Assembly members:
calmodulin, polymer, 148 residues, 16721.465 Da.
IQ_motif, polymer, 31 residues, 3529.137 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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
calmodulin: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD SEEEIREAFRVFDKDGNGYI SAAELRHVMTNLGEKLTDEE VDEMIREADIDGDGQVNYEE FVQMMTAK
IQ_motif: GPGSEEVSAMVIQRAFRRHL LQRSLKHASFL

Data sets:
Data typeCount
13C chemical shifts713
15N chemical shifts193
1H chemical shifts1236

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1calmodulin1
2IQ_motif2

Entities:

Entity 1, calmodulin 148 residues - 16721.465 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, IQ_motif 31 residues - 3529.137 Da.

first 4 are cloning artefacts

1   GLYPROGLYSERGLUGLUVALSERALAMET
2   VALILEGLNARGALAPHEARGARGHISLEU
3   LEUGLNARGSERLEULYSHISALASERPHE
4   LEU

Samples:

sample_1: calmodulin, [U-99% 13C; U-99% 15N], 1 mM; IQ_motif, [U-99% 13C; U-99% 15N], 1 mM; H2O 95%; D2O 5%; KCl 100 mM

sample_2: calmodulin 1 mM; IQ_motif 1 mM; H2O 95%; D2O 5%; KCl 100 mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H COSYsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1

Software:

AMBER v10, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - refinement

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

TALOS, Cornilescu, Delaglio and Bax - data analysis

SPARKY, Goddard - chemical shift assignment, data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker DRX 800 MHz
  • Bruker DRX 600 MHz

Related Database Links:

BMRB 15184 15185 15186 15187 15188 15191 15470 15624 15650 15852 1634 16418 16465 1648 16764 17360 17771 17807 18027 18028 18556 19036 19238 19586 19604 25253 25257 26503 26626 26627 4056 4270 4284 4310
PDB
DBJ BAA08302 BAA11896 BAA19786 BAA19787 BAA19788 BAD12084 BAD12085 BAD92103
EMBL CAA10601 CAA32050 CAA32062 CAA32119 CAA32120
GB AAA35635 AAA35641 AAA37365 AAA40862 AAA40863 AAA58644 AAI40814 AAI44622 AAK74065 AAN61120
PIR JC1305 MCON
PRF 0409298A 0608335A
REF NP_001008160 NP_001009759 NP_001027633 NP_001039714 NP_001040234 NP_000326 NP_001092874 NP_001092875 NP_001153632 NP_001153633
SP O02367 O16305 O96081 P02594 P05932 Q14524
TPG DAA13808 DAA18029 DAA19590 DAA24777 DAA24988
AlphaFold O02367 O16305 O96081 P02594 P05932 Q14524

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