BMRB Entry 52209

Name: Chemical shifts of constitutively monomeric CXCL12
Published: 2024-01-06

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52209

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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:

Chemical shifts of constitutively monomeric CXCL12

Deposition date:

2023-11-16

Original release date:

2024-01-06

Authors:

Mantonico, Malisa; Quilici, Giacomo; Musco, Giovanna

Citation:

Citation: Mantonico, Malisa Vittoria; De Leo, Federica; Quilici, Giacomo; Colley, Liam Sean; De Marchis, Francesco; Crippa, Massimo; Mezzapelle, Rosanna; Schulte, Tim; Zucchelli, Chiara; Pastorello, Chiara; Carmeno, Camilla; Caprioglio, Francesca; Ricagno, Stefano; Giachin, Gabriele; Ghitti, Michela; Bianchi, Marco Emilio; Musco, Giovanna. "The acidic intrinsically disordered region of the inflammatory mediator HMGB1 mediates fuzzy interactions with CXCL12" Nat. Commun. 15, 1201-1201 (2024).
PubMed: 38331917

Assembly members:

Assembly members:
entity_1, polymer, 69 residues, Formula weight is not available

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: pET30a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKPVSLSYRCPCRFFESHVA RANVKHLKILNTPNCALQIV ARLKNNNRQVCIDPKCKWCQ EYLEKALNK

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	273
15N chemical shifts	62
1H chemical shifts	433

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CXCL12-LM	1

Entities:

Entity 1, CXCL12-LM 69 residues - Formula weight is not available

1

MET

LYS

PRO

VAL

SER

LEU

SER

TYR

ARG

CYS

2

PRO

CYS

ARG

PHE

GLU

SER

HIS

VAL

ALA

3

ARG

ALA

ASN

VAL

LYS

HIS

LEU

LYS

ILE

LEU

4

ASN

THR

PRO

ASN

CYS

ALA

LEU

GLN

ILE

VAL

5

ALA

ARG

LEU

LYS

ASN

ARG

GLN

VAL

6

CYS

ILE

ASP

PRO

LYS

CYS

LYS

TRP

CYS

GLN

7

GLU

TYR

LEU

GLU

LYS

ALA

LEU

ASN

LYS

Samples:

sample_1: CXCL12-LM, [U-100% 13C; U-100% 15N], 0.1 mM; sodium phosphate 20 mM; sodium chloride 150 mM; D2O, [U-100% 2H], 10%; DSS 0.15 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.3; 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	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D CBCACONH	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

CcpNMR - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz