BMRB Entry 52609

Name: Backbone NMR assignment of human calcium binding protein CIB2 in presence of 4mM Mg(II)
Published: 2025-01-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52609

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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:

Backbone NMR assignment of human calcium binding protein CIB2 in presence of 4mM Mg(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_MG, non-polymer, 24.305 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:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	580
15N chemical shifts	169
1H chemical shifts	814

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CIB2	1
2	Magnesium	2
3	Magnesium	2

Entities:

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

The N terminal residues GA corresponds to the tag.

1

GLY

ALA

MET

GLY

ASN

LYS

GLN

THR

ILE

PHE

2

THR

GLU

GLN

LEU

ASP

ASN

TYR

GLN

ASP

3

CYS

THR

PHE

ASN

LYS

ASP

ILE

LEU

4

LYS

LEU

HIS

SER

ARG

PHE

TYR

GLU

LEU

ALA

5

PRO

ASN

LEU

VAL

PRO

MET

ASP

TYR

ARG

LYS

6

SER

PRO

ILE

VAL

HIS

VAL

PRO

MET

SER

LEU

7

ILE

GLN

MET

PRO

GLU

LEU

ARG

GLU

ASN

8

PRO

PHE

LYS

GLU

ARG

ILE

VAL

ALA

PHE

9

SER

GLU

ASP

GLY

GLU

GLY

ASN

LEU

THR

PHE

10

ASN

ASP

PHE

VAL

ASP

MET

PHE

SER

VAL

LEU

11

CYS

GLU

SER

ALA

PRO

ARG

GLU

LEU

LYS

ALA

12

ASN

TYR

ALA

PHE

LYS

ILE

TYR

ASP

PHE

ASN

13

THR

ASP

ASN

PHE

ILE

CYS

LYS

GLU

ASP

LEU

14

GLU

LEU

THR

LEU

ALA

ARG

LEU

THR

LYS

SER

15

GLU

LEU

ASP

GLU

VAL

LEU

VAL

16

CYS

ASP

LYS

VAL

ILE

GLU

ALA

ASP

LEU

17

ASP

GLY

ASP

GLY

LYS

LEU

GLY

PHE

ALA

ASP

18

PHE

GLU

ASP

MET

ILE

ALA

LYS

ALA

PRO

ASP

19

PHE

LEU

SER

THR

PHE

HIS

ILE

ARG

ILE

Entity 2, Magnesium - Mg - 24.305 Da.

1

MG

Samples:

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

sample_2: Mg(II)-CIB2, [U-100% 15N], 240 uM; HEPES 20 mM; KCl 100 mM; DTT 1 mM; Mg(II) 4 mM; EGTA 1 mM

sample_3: Mg(II)-CIB2, [U-100% 15N], 200 uM; HEPES 20 mM; NaCl 150 mM; DTT 1 mM; Mg(II) 4 mM; EGTA 1 mM

sample_conditions_1: ionic strength: 0.100 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:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HNCACO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_3
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_3	isotropic	sample_conditions_3
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_3	isotropic	sample_conditions_3

Software:

CARA v1.8.4. - chemical shift assignment

TOPSPIN v3.16 - collection, processing

NMR spectrometers:

Bruker Ascend 1200 MHz
Bruker AVANCE III 950 MHz
Bruker Avance 700 MHz