BMRB Entry 27712

Name: 15N chemical shifts of calmodulin N-terminal lobe in complex with KN-93
Published: 2019-02-11

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27712

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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:

15N chemical shifts of calmodulin N-terminal lobe in complex with KN-93

Deposition date:

2018-12-04

Original release date:

2019-02-11

Authors:

Saad, Jamil; Vlach, Jiri

Citation:

Citation: Wong, Melanie; Samal, Alexandra; Lee, Mike; Vlach, Jiri; Novikov, Nikolai; Niedziela-Majka, Anita; Feng, Joy; Koltun, Dmitry; Brendza, Katherine; Kwon, Hyock Joo; Schultz, Brian; Sakowicz, Roman; Saad, Jamil; Papalia, Giuseppe. "The KN-93 Molecule Inhibits Calcium/Calmodulin-Dependent Protein Kinase II (CaMKII) Activity by Binding to Ca" J. Mol. Biol. 431, 1440-1459 (2019).
PubMed: 30753871

Assembly members:

Assembly members:
CaM-N, polymer, 80 residues, 8895.7264 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CaM-N: ADQLTEEQIAEFKEAFSLFD KDGDGTITTKELGTVMRSLG QNPTEAELQDMINEVDADGN GTIDFPEFLTMMARKMKDTD

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
15N chemical shifts	83
1H chemical shifts	90

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CaM-N	1
2	Ca, 1	2
3	Ca, 2	2

Entities:

Entity 1, CaM-N 80 residues - 8895.7264 Da.

1	ALA	ASP	GLN	LEU	THR	GLU	GLU	GLN	ILE	ALA
2	GLU	PHE	LYS	GLU	ALA	PHE	SER	LEU	PHE	ASP
3	LYS	ASP	GLY	ASP	GLY	THR	ILE	THR	THR	LYS
4	GLU	LEU	GLY	THR	VAL	MET	ARG	SER	LEU	GLY
5	GLN	ASN	PRO	THR	GLU	ALA	GLU	LEU	GLN	ASP
6	MET	ILE	ASN	GLU	VAL	ASP	ALA	ASP	GLY	ASN
7	GLY	THR	ILE	ASP	PHE	PRO	GLU	PHE	LEU	THR
8	MET	MET	ALA	ARG	LYS	MET	LYS	ASP	THR	ASP

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

1

CA

Samples:

s1: CaM-N, [[U-95% 15N]], 0.2 mM; KN-93 0.5 mM; Tris 25 mM; NaCl 100 mM; CaCl2 5 mM

cond1: ionic strength: 0.110 M; pH: 7.000; pressure: 1.000 atm; temperature: 305.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	s1	isotropic	cond1

Software:

CcpNmr_Analysis v2.4, CCPN - analysis

nmrDraw vany, F. Delaglio - Spectrum analysis, Spectrum display

nmrPipe vany, F. Delaglio - Spectrum processing

NMR spectrometers:

Bruker Avance 700 MHz

1	ALA	ASP	GLN	LEU	THR	GLU	GLU	GLN	ILE	ALA
2	GLU	PHE	LYS	GLU	ALA	PHE	SER	LEU	PHE	ASP
3	LYS	ASP	GLY	ASP	GLY	THR	ILE	THR	THR	LYS
4	GLU	LEU	GLY	THR	VAL	MET	ARG	SER	LEU	GLY
5	GLN	ASN	PRO	THR	GLU	ALA	GLU	LEU	GLN	ASP
6	MET	ILE	ASN	GLU	VAL	ASP	ALA	ASP	GLY	ASN
7	GLY	THR	ILE	ASP	PHE	PRO	GLU	PHE	LEU	THR
8	MET	MET	ALA	ARG	LYS	MET	LYS	ASP	THR	ASP

1	ALA	ASP	GLN	LEU	THR	GLU	GLU	GLN	ILE	ALA
2	GLU	PHE	LYS	GLU	ALA	PHE	SER	LEU	PHE	ASP
3	LYS	ASP	GLY	ASP	GLY	THR	ILE	THR	THR	LYS
4	GLU	LEU	GLY	THR	VAL	MET	ARG	SER	LEU	GLY
5	GLN	ASN	PRO	THR	GLU	ALA	GLU	LEU	GLN	ASP
6	MET	ILE	ASN	GLU	VAL	ASP	ALA	ASP	GLY	ASN
7	GLY	THR	ILE	ASP	PHE	PRO	GLU	PHE	LEU	THR
8	MET	MET	ALA	ARG	LYS	MET	LYS	ASP	THR	ASP