BMRB Entry 27684

Name: CXCL3
Published: 2019-01-08

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27684

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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:

CXCL3

Deposition date:

2018-11-06

Original release date:

2019-01-08

Authors:

Gulati, Khushboo; Gangele, Krishnakant; Kumar, Dinesh; Poluri, Krishna Mohan

Citation:

Citation: Gulati, Khushboo; Gangele, Krishnakant; Kumar, Dinesh; Poluri, Krishna Mohan. "An inter-switch between hydrophobic and charged amino acids generated druggable small molecule binding pocket in chemokine paralog CXCL3" Arch. Biochem. Biophys. 662, 121-128 (2018).
PubMed: 30528777

Assembly members:

Assembly members:
CXCL3, polymer, 73 residues, 7827 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CXCL3: AVVASELRCQCLNTLPRVDF ETIQSLTVTPPGPHCTQTEV IATLKDGQEVCLNPQGPRLQ IIIKKILKSGKSS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	130
15N chemical shifts	67
1H chemical shifts	67

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CXCL3	1

Entities:

Entity 1, CXCL3 73 residues - 7827 Da.

1

ALA

VAL

ALA

SER

GLU

LEU

ARG

CYS

GLN

2

CYS

LEU

ASN

THR

LEU

PRO

ARG

VAL

ASP

PHE

3

GLU

THR

ILE

GLN

SER

LEU

THR

VAL

THR

PRO

4

PRO

GLY

PRO

HIS

CYS

THR

GLN

THR

GLU

VAL

5

ILE

ALA

THR

LEU

LYS

ASP

GLY

GLN

GLU

VAL

6

CYS

LEU

ASN

PRO

GLN

GLY

PRO

ARG

LEU

GLN

7

ILE

LYS

ILE

LEU

LYS

SER

GLY

8

LYS

SER

Samples:

sample_1: CXCL3, [U-99% 13C; U-99% 15N], 1 mM; D2O, [U-100% 2H], 10%; H2O 90%; sodium phosphate 50 mM; sodium azide 0.05%

sample_conditions_1: ionic strength: 0.050 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CARA v1.9.1, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 800 MHz