BMRB Entry 25112

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PDB ID: 2msa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR25112
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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: Structural and immunological analysis of circumsporozoite protein peptides: a further step in the identification of potential components of a minimal subunit-based, chemically synthesised antimalarial vaccine. PubMed: 18930095

Deposition date: 2014-07-28 Original release date: 2014-09-02

Authors: Adriana, Bermudez; Magnolia, Vanegas; Manuel, Patarroyo

Citation: Bermudez, Adriana; Vanegas, Magnolia; Patarroyo, Manuel. "Structural and immunological analysis of circumsporozoite protein peptides: a further step in the identification of potential components of a minimal subunit-based, chemically synthesised antimalarial vaccine." Vaccine 26, 6908-6918 (2008).

Assembly members:
entity, polymer, 15 residues, 1487.588 Da.

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

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity: KNSFSLGENPNANPX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	87

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 15 residues - 1487.588 Da.

1

LYS

ASN

SER

PHE

SER

LEU

GLY

GLU

ASN

PRO

2

ASN

ALA

ASN

PRO

NH2

Samples:

sample_1: entity 8 mM; trifluoroethanol 30 v/v; water 70 v/v

sample_conditions_1: temperature: 295 K; pH: 3.7; pressure: 1 atm

Experiments:

Name	Sample	Sample state	Sample conditions
2D DQF-COSY	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:

InsightII, Accelrys Software Inc. - geometry optimization, refinement

NMR spectrometers:

Bruker DRX 600 MHz