BMRB Entry 27711

Name: Chemical shifts of calmodulin C-terminal lobe in complex with KN-93
Published: 2019-02-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27711

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

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

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Chemical shifts of calmodulin C-terminal lobe in complex with KN-93

Deposition date:

2018-12-04

Original release date:

2019-02-11

Authors:

Vlach, Jiri; Saad, Jamil

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-C, polymer, 73 residues, 8395.0952 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-C: MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEEFVQMMTAK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	139
15N chemical shifts	71
1H chemical shifts	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CaM-C	1
2	Ca	2

Entities:

Entity 1, CaM-C 73 residues - 8395.0952 Da.

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, Ca - Ca - 40.078 Da.

1

CA

Samples:

s1: CaM-C, [[U-95% 15N]], 0.3 mM; KN93 0.5 mM; Tris 25 mM; NaCl 100 mM; CaCl2, [U-100% 15N], 5 mM

s2: CaM-C, [U-95% 13C; U-95% 15N], 0.4 mM; KN93 0.6 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
3D HNCA	s2	isotropic	cond1
HNcoCA (H[N[co[{CA\|ca[C]}]]])	s2	isotropic	cond1
HNcoCACB (H[N[co[{CA\|ca[C]}]]])	s2	isotropic	cond1
3D HNCACB	s2	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 600 MHz