BMRB Entry 25870

Name: Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1
Published: 2016-06-27

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PDB ID: 2n8y
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25870
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:

Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1

Deposition date:

2016-06-27

Original release date:

2016-06-27

Authors:

Drmota Prebil, Sara; Slapsak, Urska; de Almeida Ribeiro, Euripedes; Pavsic, Miha; Ilc, Gregor; Zielinska, Karolina; Hartl, Markus; Backman, Lars; Plavec, Janez; Lenarcic, Brigita; Djinovic-Carugo, Kristina

Citation:

Citation: Drmota Prebil, Sara; Slapsak, Urska; de Almeida Ribeiro, Euripedes; Pavsic, Miha; Ilc, Gregor; Zielinska, Karolina; Hartl, Markus; Backman, Lars; Plavec, Janez; Lenarcic, Brigita; Djinovic-Carugo, Kristina. "Structure and calcium-binding studies of calmodulin-like domain of human non-muscle alpha-actinin-1" Sci. Rep. 6, 27383-27383 (2016).
PubMed: 27272015

Assembly members:

Assembly members:
Calmodulin-Like_Domain_of_alpha-actinin_1, polymer, 153 residues, 16986.877 Da.
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 Vector: pET-3d

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Calmodulin-Like_Domain_of_alpha-actinin_1: GSSISQEQMNEFRASFNHFD RDHSGTLGPEEFKACLISLG YDIGNDPQGEAEFARIMSIV DPNRLGVVTFQAFIDFMSRE TADTDTADQVMASFKILAGD KNYITMDELRRELPPDQAEY CIARMAPYTGPDSVPGALDY MSFSTALYGESDL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	517
15N chemical shifts	151
1H chemical shifts	1022

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	Calcium ion	2

Entities:

Entity 1, entity_1 153 residues - 16986.877 Da.

Residues 1-3 represent a non-native affinity tag This is the GSS linker.

1

GLY

SER

ILE

SER

GLN

GLU

GLN

MET

ASN

2

GLU

PHE

ARG

ALA

SER

PHE

ASN

HIS

PHE

ASP

3

ARG

ASP

HIS

SER

GLY

THR

LEU

GLY

PRO

GLU

4

GLU

PHE

LYS

ALA

CYS

LEU

ILE

SER

LEU

GLY

5

TYR

ASP

ILE

GLY

ASN

ASP

PRO

GLN

GLY

GLU

6

ALA

GLU

PHE

ALA

ARG

ILE

MET

SER

ILE

VAL

7

ASP

PRO

ASN

ARG

LEU

GLY

VAL

THR

PHE

8

GLN

ALA

PHE

ILE

ASP

PHE

MET

SER

ARG

GLU

9

THR

ALA

ASP

THR

ASP

THR

ALA

ASP

GLN

VAL

10

MET

ALA

SER

PHE

LYS

ILE

LEU

ALA

GLY

ASP

11

LYS

ASN

TYR

ILE

THR

MET

ASP

GLU

LEU

ARG

12

ARG

GLU

LEU

PRO

ASP

GLN

ALA

GLU

TYR

13

CYS

ILE

ALA

ARG

MET

ALA

PRO

TYR

THR

GLY

14

PRO

ASP

SER

VAL

PRO

GLY

ALA

LEU

ASP

TYR

15

MET

SER

PHE

SER

THR

ALA

LEU

TYR

GLY

GLU

16

SER

ASP

LEU

Entity 2, Calcium ion - Ca - 40.078 Da.

1

CA

Samples:

sample_1: Calmodulin-Like Domain of alpha-actinin 1, [U-100% 13C; U-100% 15N], 1 mM; HEPES 20 mM; Sodium chloride 100 mM; DTT 1.5 mM; EGTA 0.05 mM; Calcium chloride 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.6; pressure: 1 atm; temperature: 298 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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	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:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Cornilescu, Delaglio and Bax - peak picking

TALOS, Cornilescu, Delaglio and Bax - Prediction of Protein Backbone Torsion Angles

YASARA, Krieger, Koraimann, Vriend - refinement

NMR spectrometers:

Varian VNMRS 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks