BMRB Entry 17442

Name: LAK160-P12
Published: 2012-02-14

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PDB ID: 2l9a
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17442
MolProbity Validation Chart

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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:

LAK160-P12

Deposition date:

2011-02-03

Original release date:

2012-02-14

Authors:

Vermeer, Louic; Bui, Tam; Lan, Yun; Jumagulova, Elmira; Kozlowska, Justyna; McIntyre, Caitlin; Drake, Alex; Mason, James

Citation:

Citation: Vermeer, Louic; Lan, Yun; Abbate, Vincenzo; Ruh, Emrah; Bui, Tam; Wilkinson, Louise; Kanno, Tokuwa; Jumagulova, Elmira; Kozlowska, Justyna; Patel, Jayneil; McIntyre, Caitlin; Yam, W.; Siu, Gilman; Atkinson, R.; Lam, Jenny; Bansal, Sukhvinder; Drake, Alex; Mitchell, Graham; Mason, A.. "Conformational flexibility determines selectivity and antibacterial, antiplasmodial, and anticancer potency of cationic alpha-helical peptides" J. Biol. Chem. 287, 34120-34133 (2012).
PubMed: 22869378

Assembly members:

Assembly members:
LAK160-P12, polymer, 24 residues, 2666.540 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):
LAK160-P12: KKLKLALAKLAPLWKALALK LKKA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	49

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LAK160-P12	1

Entities:

Entity 1, LAK160-P12 24 residues - 2666.540 Da.

1

LYS

LEU

LYS

LEU

ALA

LEU

ALA

LYS

LEU

2

ALA

PRO

LEU

TRP

LYS

ALA

LEU

ALA

LEU

LYS

3

LEU

LYS

ALA

Samples:

sample_1: LAK160-P12 1 mM; SDS 100 mM; TRIS 5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 7; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

SPARKY v3.113, Goddard - chemical shift assignment, peak picking

CNSSOLVE v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

Python v2.6.5, Python Software Foundation - data analysis

ProcheckNMR v3.5.4, Laskowski and MacArthur - data analysis

ARIA v2.2, Linge, O'Donoghue and Nilges - refinement, structure solution

AQUA v3.2, Rullmann, Doreleijers and Kaptein - data analysis

TOPSPIN v3.0, Bruker Biospin - collection, processing

NMR spectrometers:

Bruker Avance 500 MHz