BMRB Entry 19376

Name: Calmodulin, C-terminal domain, M144H mutant
Published: 2014-06-16

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PDB ID: 4bya
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19376
MolProbity Validation Chart

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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:

Calmodulin, C-terminal domain, M144H mutant

Deposition date:

2013-07-18

Original release date:

2014-06-16

Authors:

Moroz, Yurii; Wu, Yibing; van Nuland, Nicolaas; Korendovych, Ivan

Citation:

Citation: Moroz, Yurii; Wu, Yibing; van Nuland, Nicolaas; Korendovych, Ivan. "Calmodulin, C-terminal domain, M144H mutant" .

Assembly members:

Assembly members:
Calmodulin, C-terminal domain, polymer, 75 residues, Formula weight is not available
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:

Natural source: Common Name: Chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PEXP5-NT/TOPO

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin, C-terminal domain: SLMKDTDSEEEIREAFRVFD KDGNGYISAAELRHVMTNLG EKLTDEEVDEMIREADIDGD GQVNYEEFVQHMTAK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- spectral_peak_list-1
- spectral_peak_list-2

Data type	Count
13C chemical shifts	319
15N chemical shifts	78
1H chemical shifts	512

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Calmodulin, C-terminal domain	1
2	calcium ion	2

Entities:

Entity 1, Calmodulin, C-terminal domain 75 residues - Formula weight is not available

1

SER

LEU

MET

LYS

ASP

THR

ASP

SER

GLU

2

GLU

ILE

ARG

GLU

ALA

PHE

ARG

VAL

PHE

ASP

3

LYS

ASP

GLY

ASN

GLY

TYR

ILE

SER

ALA

4

GLU

LEU

ARG

HIS

VAL

MET

THR

ASN

LEU

GLY

5

GLU

LYS

LEU

THR

ASP

GLU

VAL

ASP

GLU

6

MET

ILE

ARG

GLU

ALA

ASP

ILE

ASP

GLY

ASP

7

GLY

GLN

VAL

ASN

TYR

GLU

PHE

VAL

GLN

8

HIS

MET

THR

ALA

LYS

Entity 2, calcium ion - Ca - 40.078 Da.

1

CA

Samples:

sample_1: Calmodulin, C-terminal domain, [U-100% 13C; U-100% 15N], 1.1 mM; sodium azide 0.01%; sodium chloride 100 mM; calcium chloride 10 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CACB	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR, Varian - collection

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

PSVS, Bhattacharya and Montelione - data analysis

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Varian Unity 600 MHz

BMRB	16994 17881 17981 17982 17983 18084 18323 25344
PDB	1CMF 1CMG 1F71 1FW4 1J7P 1YRT 1YRU 1ZOT 2COL 2HF5 2K3S 2KUH 2KZ2 2LLQ 2LQP 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