BMRB Entry 30316

Name: Structure of monomeric Interleukin-8 (1-66)
Published: 2017-11-20

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PDB ID: 5wdz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR30316
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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:

Structure of monomeric Interleukin-8 (1-66)

Deposition date:

2017-07-06

Original release date:

2017-11-20

Authors:

Berkamp, S.; Opella, S.; Marassi, F.

Citation:

Citation: Berkamp, S.; Park, S.; Radoicic, J.; De Angelis, A.; Opella, S.. "Structure of monomeric Interleukin-8 and its interactions with the N-terminal Binding Site-I of CXCR1 by solution NMR spectroscopy" J. Biomol. NMR 69, 111-121 (2017).
PubMed: 29143165

Assembly members:

Assembly members:
entity_1, polymer, 66 residues, 7714.061 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: pET32b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SAKELRCQCIKTYSKPFHPK FIKELRVIESGPHCANTEII VKLSDGRELCLDPKENWVQR VVEKFL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	251
15N chemical shifts	61
1H chemical shifts	399

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 66 residues - 7714.061 Da.

1

SER

ALA

LYS

GLU

LEU

ARG

CYS

GLN

CYS

ILE

2

LYS

THR

TYR

SER

LYS

PRO

PHE

HIS

PRO

LYS

3

PHE

ILE

LYS

GLU

LEU

ARG

VAL

ILE

GLU

SER

4

GLY

PRO

HIS

CYS

ALA

ASN

THR

GLU

ILE

5

VAL

LYS

LEU

SER

ASP

GLY

ARG

GLU

LEU

CYS

6

LEU

ASP

PRO

LYS

GLU

ASN

TRP

VAL

GLN

ARG

7

VAL

GLU

LYS

PHE

LEU

Samples:

sample_3: HEPES 20 mM; IL-8 1-66, [U-15N], 20 mM

sample_1: HEPES 20 mM; IL-8 1-66, [U-13C; U-15N], 20 mM

sample_2: HEPES 20 mM; IL-8, [U-15N], 20 mM; Y21M bacteriophage 13.5 mg/L; sodium chloride 70 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.3; pressure: 1 atm; temperature: 313 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HCC(CO)NH	sample_1	isotropic	sample_conditions_1
3D CC(CO)NH	sample_1	isotropic	sample_conditions_1
2D IPAP	sample_2	anisotropic	sample_conditions_1
3D NOESY	sample_3	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, peak picking

X-PLOR NIH v2.41.1, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

NMR spectrometers:

Bruker Avance 600 MHz
Varian VS 800 MHz

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