BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25870

Title: Holo form of Calmodulin-Like Domain of Human Non-Muscle alpha-actinin 1   PubMed: 27272015

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: 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).

Assembly members:
Calmodulin-Like_Domain_of_alpha-actinin_1, polymer, 153 residues, 16986.877 Da.
CALCIUM ION, non-polymer, 40.078 Da.

Natural source:   Common Name: human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

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

Data sets:
Data typeCount
13C chemical shifts517
15N chemical shifts151
1H chemical shifts1022

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2Calcium ion2

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   GLYSERSERILESERGLNGLUGLNMETASN
2   GLUPHEARGALASERPHEASNHISPHEASP
3   ARGASPHISSERGLYTHRLEUGLYPROGLU
4   GLUPHELYSALACYSLEUILESERLEUGLY
5   TYRASPILEGLYASNASPPROGLNGLYGLU
6   ALAGLUPHEALAARGILEMETSERILEVAL
7   ASPPROASNARGLEUGLYVALVALTHRPHE
8   GLNALAPHEILEASPPHEMETSERARGGLU
9   THRALAASPTHRASPTHRALAASPGLNVAL
10   METALASERPHELYSILELEUALAGLYASP
11   LYSASNTYRILETHRMETASPGLULEUARG
12   ARGGLULEUPROPROASPGLNALAGLUTYR
13   CYSILEALAARGMETALAPROTYRTHRGLY
14   PROASPSERVALPROGLYALALEUASPTYR
15   METSERPHESERTHRALALEUTYRGLYGLU
16   SERASPLEU

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_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 simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts