BMRB Entry 27740

Name: Backbone chemical shift assignments of the calcium-saturated human calmodulin C-domain bound to the human NaV1.2 IQ motif peptide
Published: 2021-07-21

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27740

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_list_2

Data type	Count
13C chemical shifts	291
15N chemical shifts	97
1H chemical shifts	97

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Calmodulin C-domain	1
2	Nav	2
3	Calcium, 1	3
4	Calcium, 2	3

Entities:

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

Initial methionine is residue 76 of calmodulin

1

MET

LYS

ASP

THR

ASP

SER

GLU

ILE

2

ARG

GLU

ALA

PHE

ARG

VAL

PHE

ASP

LYS

ASP

3

GLY

ASN

GLY

TYR

ILE

SER

ALA

GLU

LEU

4

ARG

HIS

VAL

MET

THR

ASN

LEU

GLY

GLU

LYS

5

LEU

THR

ASP

GLU

VAL

ASP

GLU

MET

ILE

6

ARG

GLU

ALA

ASP

ILE

ASP

GLY

ASP

GLY

GLN

7

VAL

ASN

TYR

GLU

PHE

VAL

GLN

MET

8

THR

ALA

LYS

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

GLY

PRO

GLY

SER

LYS

ARG

LYS

GLN

GLU

2

VAL

SER

ALA

ILE

GLN

ARG

ALA

TYR

3

ARG

TYR

LEU

LYS

GLN

LYS

VAL

LYS

4

LYS

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

1

CA

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

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

BMRB Entry 27740

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links: