BMRB Entry 52608

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52608

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Title:
Backbone NMR assignment of human calcium binding protein CIB2 in presence of 4mM Ca(II)
Deposition date:
2024-09-11
Original release date:
2025-01-09
Authors:
Olivieri, Gabriele; Dal Cortivo, Giuditta; Del Conte, Rebecca; Zanzoni, Serena; Marino, Valerio; Dell'Orco, Daniele; Cantini, Francesca
Citation:

Citation: Olivieri, Gabriele; Dal Cortivo, Giuditta; Dal Conte, Rebecca; Zanzoni, Serena; Marino, Valerio; Dell'Orco, Daniele; Cantini, Francesca. "Structural dynamics of calcium and integrin-binding protein 2 (CIB2) reveal uncommon flexibility and heterogeneous calcium and magnesium loading"  Int. J. Biol. Macromol. 286, 138003-138003 (2024).
PubMed: 39586446

Assembly members:

Assembly members:
entity_1, polymer, 189 residues, Formula weight is not available
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: pET24a(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GAMGNKQTIFTEEQLDNYQD CTFFNKKDILKLHSRFYELA PNLVPMDYRKSPIVHVPMSL IIQMPELRENPFKERIVAAF SEDGEGNLTFNDFVDMFSVL CESAPRELKANYAFKIYDFN TDNFICKEDLELTLARLTKS ELDEEEVVLVCDKVIEEADL DGDGKLGFADFEDMIAKAPD FLSTFHIRI

Data sets:
Data typeCount
13C chemical shifts450
15N chemical shifts164
1H chemical shifts501

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1CIB21
2Calcium ion2
3Calcium ion2

Entities:

Entity 1, CIB2 189 residues - Formula weight is not available

The N terminal residues GA corresponds to the tag.

1   GLYALAMETGLYASNLYSGLNTHRILEPHE
2   THRGLUGLUGLNLEUASPASNTYRGLNASP
3   CYSTHRPHEPHEASNLYSLYSASPILELEU
4   LYSLEUHISSERARGPHETYRGLULEUALA
5   PROASNLEUVALPROMETASPTYRARGLYS
6   SERPROILEVALHISVALPROMETSERLEU
7   ILEILEGLNMETPROGLULEUARGGLUASN
8   PROPHELYSGLUARGILEVALALAALAPHE
9   SERGLUASPGLYGLUGLYASNLEUTHRPHE
10   ASNASPPHEVALASPMETPHESERVALLEU
11   CYSGLUSERALAPROARGGLULEULYSALA
12   ASNTYRALAPHELYSILETYRASPPHEASN
13   THRASPASNPHEILECYSLYSGLUASPLEU
14   GLULEUTHRLEUALAARGLEUTHRLYSSER
15   GLULEUASPGLUGLUGLUVALVALLEUVAL
16   CYSASPLYSVALILEGLUGLUALAASPLEU
17   ASPGLYASPGLYLYSLEUGLYPHEALAASP
18   PHEGLUASPMETILEALALYSALAPROASP
19   PHELEUSERTHRPHEHISILEARGILE

Entity 2, Calcium ion - Ca - 40.078 Da.

1   CA

Samples:

sample_1: CaCa-CIB2, [U-100% 13C; U-100% 15N], 323 uM; HEPES 20 mM; KCl 100 mM; DTT 1 mM; Ca(II) 5 mM

sample_2: CaCa-CIB2, [U-100% 13C; U-100% 15N], 240 uM; HEPES 20 mM; KCl 100 mM; DTT 1 mM; Ca(II) 5 mM

sample_3: CaCa-CIB2, [U-100% 13C; U-100% 15N], 200 uM; HEPES 20 mM; NaCl 100 mM; DTT 1 mM; Ca(II) 5 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_2: ionic strength: 0.100 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

sample_conditions_3: ionic strength: 0.150 M; pH: 7.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_2isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
3D HNCAsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNHAsample_3isotropicsample_conditions_3

Software:

CARA v1.8.4. - chemical shift assignment

TOPSPIN v3.16 - collection, processing

NMR spectrometers:

  • Bruker Ascend12 1200 MHz
  • Bruker AVANCE III 950 MHz
  • Bruker Avance 700 MHz

Related Database Links:

UniProt O75838-1

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