BMRB Entry 20062

Name: 3D NMR models of MBP83-99 peptide in DMSO
Published: 2010-04-13

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20062

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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:

3D NMR models of MBP83-99 peptide in DMSO

Deposition date:

2008-12-01

Original release date:

2010-04-13

Authors:

Spyroulias, Georgios

Citation:

Citation: Spyranti, Zinovia; Tselios, Theodore; Deraos, George; Matsoukas, John; Spyroulias, Georgios. "NMR structural elucidation of myelin basic protein epitope 83-99 implicated in multiple sclerosis." Amino Acids 38, 929-936 (2010).
PubMed: 19468823

Assembly members:

Assembly members:
Myelin_Basic_Protein, polymer, 17 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: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Myelin_Basic_Protein: ENPVVHFFKNIVTPRTP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	131

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Myelin Basic Protein	1

Entities:

Entity 1, Myelin Basic Protein 17 residues - Formula weight is not available

1

GLU

ASN

PRO

VAL

HIS

PHE

LYS

ASN

2

ILE

VAL

THR

PRO

ARG

THR

PRO

Samples:

sample_1: Myelin Basic Protein 2.0-3.0 mM

sample_conditions_1: pH: .; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C 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 v2.6, Bruker Biospin - data analysis

NMR spectrometers:

Bruker DPX 600 MHz

BMRB	15131 18520 19186
PDB	1BX2 1FV1 1YMM 2LUG 3PL6
DBJ	BAB23830 BAC37705 BAE28256 BAE87162 BAE87443
EMBL	CAA10804 CAA10805 CAA10806 CAA10807 CAA35179
GB	AAA37720 AAA39496 AAA39497 AAA39499 AAA39500
PRF	0411226A 1003243A 1102236A
REF	NP_001001546 NP_001020252 NP_001020261 NP_001020263 NP_001020272
SP	P02686 P02687 P02688 P04370 P06906
TPG	DAA16031
AlphaFold	P02686 P02687 P02688 P04370 P06906