BMRB Entry 19601

Name: Solution structure of CXCL5
Published: 2014-03-31

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PDB ID: 2mgs
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19601
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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:

Solution structure of CXCL5

Deposition date:

2013-11-04

Original release date:

2014-03-31

Authors:

Sepuru, Krishna Mohan; Rajarathnam, Krishna

Citation:

Citation: Sepuru, Krishna Mohan; Poluri, Krishna Mohan; Rajarathnam, Krishna. "Solution Structure of CXCL5 - A Novel Chemokine and Adipokine Implicated in Inflammation and Obesity." PLoS ONE 9, e93228-e93228 (2014).
PubMed: 24695525

Assembly members:

Assembly members:
entity, polymer, 78 residues, 7830.323 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: pET32 Xa/LIC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: AGPAAAVLRELRCVCLQTTQ GVHPKMISNLQVFAIGPQCS KVEVVASLKNGKEICLDPEA PFLKKVIQKILDGGNKEN

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	138
15N chemical shifts	70
1H chemical shifts	230

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	1

Entities:

Entity 1, entity_1 78 residues - 7830.323 Da.

1

ALA

GLY

PRO

ALA

VAL

LEU

ARG

GLU

2

LEU

ARG

CYS

VAL

CYS

LEU

GLN

THR

GLN

3

GLY

VAL

HIS

PRO

LYS

MET

ILE

SER

ASN

LEU

4

GLN

VAL

PHE

ALA

ILE

GLY

PRO

GLN

CYS

SER

5

LYS

VAL

GLU

VAL

ALA

SER

LEU

LYS

ASN

6

GLY

LYS

GLU

ILE

CYS

LEU

ASP

PRO

GLU

ALA

7

PRO

PHE

LEU

LYS

VAL

ILE

GLN

LYS

ILE

8

LEU

ASP

GLY

ASN

LYS

GLU

ASN

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.4 mM; sodium phosphate 50 mM; sodium azide 0.01%; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298.15 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 HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

ARIA v2.3, Linge, O'Donoghue and Nilges - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

SPARKY, Goddard - data analysis, peak picking

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

Bruker Avance 800 MHz
Bruker Avance 600 MHz

PDB	2MGS
DBJ	BAG35064 BAJ20338
EMBL	CAA55355 CAC42884 CAG33709
GB	AAA62475 AAA86426 AAH08376 AAK29641 AAP35453
PRF	2104290A
REF	NP_002985 XP_002814910 XP_003832377 XP_004038864
SP	P42830
AlphaFold	P42830