BMRB Entry 25344

Name: Calcium bound calmodulin C-terminal domain, E140Q mutant
Published: 2014-12-16

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25344

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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:

Calcium bound calmodulin C-terminal domain, E140Q mutant

Deposition date:

2014-11-14

Original release date:

2014-12-16

Authors:

Lundstrom, Patrik

Citation:

Citation: Niklasson, Markus; Ahlner, Alexandra; Andresen, Cecilia; Marsh, Joseph; Lundstrom, Patrik. "Fast and accurate resonance assignment of small-to-large proteins by combining automated and manual approaches" PLOS Comput. Biol. 11, e1004022-e1004022 (2015).
PubMed: 25569628

Assembly members:

Assembly members:
CaM_E140Q_Tr2C, polymer, 73 residues, Formula weight is not available
CALCIUM ION, 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):
CaM_E140Q_Tr2C: MKDTDSEEEIREAFRVFDKD GNGYISAAELRHVMTNLGEK LTDEEVDEMIREADIDGDGQ VNYEQFVQMMTAK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	305
15N chemical shifts	71
1H chemical shifts	473

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1
2	calcium ion	2

Entities:

Entity 1, subunit 1 73 residues - Formula weight is not available

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

GLN

PHE

VAL

GLN

MET

8

THR

ALA

LYS

Entity 2, calcium ion - Ca - 40.078 Da.

1

CA

Samples:

sample_1: CaM E140Q_Tr2C, [U-99% 13C; U-99% 15N], 0.7 mM; H2O 90%; D2O 10%; CaCl2 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6.0; pressure: 1 atm; temperature: 308 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HN(CA)CO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D (H)C(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

COMPASS, Niklasson, Ahlner, Andresen, Marsh, Lundstrom - chemical shift assignment

SPARKY, Goddard, T.D. and Kneller G.D. - peak picking, visulaization

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	11440 16994 17881 17981 17982 17983 18084 18323 19376
PDB	1CMF 1CMG 1F71 1FW4 1J7P 1YRT 1YRU 1ZOT 2COL 2HF5 2K3S 2KUH 2KZ2 2LLQ 2LQP 2RRT 4BYA 4RJD
DBJ	BAC39089 BAF45809 BAI66109 BAI66110 BAI66111
EMBL	CAB51566
GB	AAH10730 AAO17827 AAQ14324 AAX61134 AAY87961
REF	XP_001687795 XP_001869425 XP_007442524 XP_010190430 XP_011906627