BMRB Entry 17982

Name: Dynamics of isolated C domain of calmodulin complexed with Ca2+
Published: 2011-10-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17982

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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:

Dynamics of isolated C domain of calmodulin complexed with Ca2+

Deposition date:

2011-10-07

Original release date:

2011-10-10

Authors:

Wang, Xu; Kleerekoper, Quinn; Putkey, John

Citation:

Citation: Wang, Xu; Kleerekoper, Quinn; Xiong, Liang-wen; Putkey, John. "Intrinsic disorder of PEP-19 confers unique dynamic properties to apo and calcium calmodulin" Biochemistry 49, 10287-10297 (2010).
PubMed: 20973509

Assembly members:

Assembly members:
isolcated_c_domain_of_calmodulin, polymer, 71 residues, Formula weight is not available
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: pLysS

Entity Sequences (FASTA):

Entity Sequences (FASTA):
isolcated_c_domain_of_calmodulin: DTDSEEEIREAFRVFDKDGN GYISAAELRHVMTNLGEKLT DEEVDEMIREADIDGDGQVN YEEFVQMMTAK

Data sets:

assigned_chemical_shifts
- hn_ca_CCaM
heteronucl_NOEs
- noe_Ca_C-CaM
heteronucl_T1_relaxation
- T1_Ca_C-CaM
heteronucl_T2_relaxation
- T2_Ca_C-CaM

Data type	Count
15N chemical shifts	71
1H chemical shifts	71
heteronuclear NOE values	68
T1 relaxation values	66
T2 relaxation values	65

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	isolcated_c_domain_of_calmodulin	1
2	Calcium	2

Entities:

Entity 1, isolcated_c_domain_of_calmodulin 71 residues - Formula weight is not available

1

ASP

THR

ASP

SER

GLU

ILE

ARG

GLU

2

ALA

PHE

ARG

VAL

PHE

ASP

LYS

ASP

GLY

ASN

3

GLY

TYR

ILE

SER

ALA

GLU

LEU

ARG

HIS

4

VAL

MET

THR

ASN

LEU

GLY

GLU

LYS

LEU

THR

5

ASP

GLU

VAL

ASP

GLU

MET

ILE

ARG

GLU

6

ALA

ASP

ILE

ASP

GLY

ASP

GLY

GLN

VAL

ASN

7

TYR

GLU

PHE

VAL

GLN

MET

THR

ALA

8

LYS

Entity 2, Calcium - Ca - 40.078 Da.

1

CA

Samples:

Ca2_C-CaM: isolcated c domain of calmodulin, [U-100% 15N], 0.5 mM; calcium 5 mM; potassium chloride 100 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.3; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
T1	Ca2_C-CaM	isotropic	sample_conditions_1
T2	Ca2_C-CaM	isotropic	sample_conditions_1
NOE	Ca2_C-CaM	isotropic	sample_conditions_1
2D 1H-15N HSQC	Ca2_C-CaM	isotropic	sample_conditions_1
3D HNCA	Ca2_C-CaM	isotropic	sample_conditions_1
3D HN(CO)CA	Ca2_C-CaM	isotropic	sample_conditions_1
3D CBCA(CO)NH	Ca2_C-CaM	isotropic	sample_conditions_1
3D HNCACB	Ca2_C-CaM	isotropic	sample_conditions_1
3D HNCO	Ca2_C-CaM	isotropic	sample_conditions_1
3D 1H-15N NOESY	Ca2_C-CaM	isotropic	sample_conditions_1
3D 1H-15N TOCSY	Ca2_C-CaM	isotropic	sample_conditions_1

Software:

FELIX v2004, Accelrys Software Inc. - peak picking, processing

NMR spectrometers:

Bruker DPX 600 MHz

BMRB	11440 16994 17881 17981 17983 18084 18323 19376 25344
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_009577260 XP_010190430