BMRB Entry 20044

Name: NMR structure of the Interleukin-8 C-terminal domain in solution with SDS micelles
Published: 2009-10-12

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20044

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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:

NMR structure of the Interleukin-8 C-terminal domain in solution with SDS micelles

Deposition date:

2008-08-26

Original release date:

2009-10-12

Authors:

Bourbigot, Sarah; Booth, Valerie

Citation:

Citation: Bourbigot, Sarah; Fardy, Liam; Waring, Alan; Yeaman, Michael; Booth, Valerie. "Structure of chemokine-derived antimicrobial Peptide interleukin-8alpha and interaction with detergent micelles and oriented lipid bilayers." Biochemistry 48, 10509-10521 (2009).
PubMed: 19813761

Assembly members:

Assembly members:
interleukin-8_C-terminal_domain, polymer, 19 residues, Formula weight is not available

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
interleukin-8_C-terminal_domain: KENWVQRVVEKFLKRAENS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
15N chemical shifts	4
1H chemical shifts	152

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1

Entities:

Entity 1, subunit 1 19 residues - Formula weight is not available

1

LYS

GLU

ASN

TRP

VAL

GLN

ARG

VAL

GLU

2

LYS

PHE

LEU

LYS

ARG

ALA

GLU

ASN

SER

Samples:

sample_1: interleukin-8 C-terminal domain, [U-15N]-Leu;[U-15N]-Ala;[U-15N]-Val, 1.5 mM; H2O 90%; D2O 10%; DSS 0.4 mM; sodium azide 0.4 mM

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298.15 K

sample_conditions_2: pH: 5; pressure: 1 atm; temperature: 303.15 K

sample_conditions_3: pH: 5; pressure: 1 atm; temperature: 308.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_3
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_3
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_2

Software:

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure calculation

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY v3.110, Goddard - data analysis, peak picking

ProcheckNMR, Laskowski and MacArthur - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 500 MHz

BMRB	280
PDB	1ICW 1IKL 1IKM 1IL8 1ILP 1ILQ 1QE6 2IL8 3IL8
DBJ	BAA03245 BAG34815 BAJ20387
EMBL	CAA68742 CAA77745 CAG46948
GB	AAA35611 AAA36323 AAA59158 AAA74722 AAB01177
REF	NP_000575 XP_001156432 XP_002814902 XP_002814903 XP_003832383
SP	P10145
AlphaFold	P10145