BMRB Entry 53778

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53778
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
All files associated with the entry

Title:
Holo form of calmodulin-like domain of human alpha-actinin-4
Deposition date:
2026-05-13
Original release date:
2026-10-21
Authors:
Hocevar, Jost; Kovacic, Matic; Plavec, Janez; Djinovic-Carugo, Kristina; Pavsic, Miha
Citation:

Citation: Hocevar, Jost; Kovacic, Matic; Plavec, Janez; Djinovic-Carugo, Kristina; Pavsic, Miha. "Distinct Ca2+-binding thermodynamics reveal a paralogue-specific structural response in the calmodulin-like domain of alpha-actinin-4 "  Int. J. Biol. Macromol. ., 154866-154866 (2026).
PubMed: 42874945

Assembly members:

Assembly members:
entity_1, polymer, 153 residues, 16972.71 Da.
entity_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: pET-22b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSSISQEQMQEFRASFNHFD KDHGGALGPEEFKACLISLG YDVENDRQGEAEFNRIMSLV DPNHSGLVTFQAFIDFMSRE TTDTDTADQVIASFKVLAGD KNFITAEELRRELPPDQAEY CIARMAPYQGPDAVPGALDY KSFSTALYGESDL

Data sets:
Data typeCount
13C chemical shifts640
15N chemical shifts162
1H chemical shifts1046

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1ACTN4 CaMD protein1
2calcium ion2

Entities:

Entity 1, ACTN4 CaMD protein 153 residues - 16972.71 Da.

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

1   GLYSERSERILESERGLNGLUGLNMETGLN
2   GLUPHEARGALASERPHEASNHISPHEASP
3   LYSASPHISGLYGLYALALEUGLYPROGLU
4   GLUPHELYSALACYSLEUILESERLEUGLY
5   TYRASPVALGLUASNASPARGGLNGLYGLU
6   ALAGLUPHEASNARGILEMETSERLEUVAL
7   ASPPROASNHISSERGLYLEUVALTHRPHE
8   GLNALAPHEILEASPPHEMETSERARGGLU
9   THRTHRASPTHRASPTHRALAASPGLNVAL
10   ILEALASERPHELYSVALLEUALAGLYASP
11   LYSASNPHEILETHRALAGLUGLULEUARG
12   ARGGLULEUPROPROASPGLNALAGLUTYR
13   CYSILEALAARGMETALAPROTYRGLNGLY
14   PROASPALAVALPROGLYALALEUASPTYR
15   LYSSERPHESERTHRALALEUTYRGLYGLU
16   SERASPLEU

Entity 2, calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: calmodulin-like domain of human a-actinin-4, [U-100% 13C; U-100% 15N], 0.75 mM; sodium chloride 150 mM; HEPES 20 mM; TCEP 2 mM; Calcium chloride 18.75 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 170 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1D 1Hsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1

Software:

ARTINA - chemical shift assignment, peak picking, processing, structure solution

YASARA v14.7.17 - refinement, structure solution

NMRFAM-SPARKY v1.2 - data analysis

CARA v1.9.1.7 - chemical shift assignment, data analysis, peak picking

TOPSPIN v4.3 - collection, data analysis, processing

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz
  • Bruker AVANCE NEO 600 MHz

Related Database Links:

UNP O43707
AlphaFold O43707

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