BMRB Entry 11002

Name: NMR structure of the antimicrobial peptide RP-1 bound to SDS micelles
Published: 2008-08-25

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PDB ID: 2rlg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR11002
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

NMR structure of the antimicrobial peptide RP-1 bound to SDS micelles

Deposition date:

2007-07-07

Original release date:

2008-08-25

Authors:

Bourbigot, Sarah; Booth, Valerie; Dodd, Erin; Horwood, Chrystal; Welch, William; Sharma, Shantanu; Waring, Alan; Yeaman, Michael

Citation:

Citation: Bourbigot, Sarah; Dodd, Erin; Horwood, Chrystal; Cumby, Nichole; Fardy, Liam; Welch, William; Ramjan, Zachary; Sharma, Shantanu; Waring, Alan; Yeaman, Michael; Booth, Valerie. "Antimicrobial peptide RP-1 structure and interactions with anionic versus zwitterionic micelles" Biopolymers 91, 1-13 (2009).
PubMed: 18712851

Assembly members:

Assembly members:
antimicrobial peptide RP-1 subunit 1, polymer, 18 residues, 2170.836 Da.

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):
antimicrobial peptide RP-1 subunit 1: ALYKKFKKKLLKSLKRLG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	5
1H chemical shifts	167

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 18 residues - 2170.836 Da.

1

ALA

LEU

TYR

LYS

PHE

LYS

LEU

2

LEU

LYS

SER

LEU

LYS

ARG

LEU

GLY

Samples:

sample_1: entity, [U-15N]-Leu, 1.5 mM; DSS 0.4 mM; SDS, [U-99% 2H], 150 mM; sodium azide 0.4 mM

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 313 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

Software:

xwinnmr, Bruker Biospin - collection

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

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

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

NMR spectrometers:

Bruker Avance 500 MHz