BMRB Entry 17868

Name: Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat
Published: 2012-03-27

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PDB ID: 2lhv
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17868
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:

Mucin sequence based on MUC2 Mucin glycoprotein tandem repeat

Deposition date:

2011-08-18

Original release date:

2012-03-27

Authors:

Borgert, Andrew; Heimburg-Molinaro, Jamie; Lasanajak, Yi; Ju, Tongzhong; Liu, Mian; Thompson, Pamela; Ragupathi, Govind; Barany, George; Cummings, Richard; Smith, David; Live, David

Citation:

Citation: Borgert, Andrew; Heimburg-Molinaro, Jamie; Song, Xuezheng; Lasanajak, Yi; Ju, Tongzhong; Liu, Mian; Thompson, Pamela; Ragupathi, Govind; Barany, George; Smith, David; Cummings, Richard; Live, David. "Deciphering structural elements of mucin glycoprotein recognition." ACS Chem. Biol. 7, 1031-1039 (2012).
PubMed: 22444368

Assembly members:

Assembly members:
MUC2_Mucin_Domain_Peptide, polymer, 9 residues, 781.948 Da.

Natural source:

Natural source: Common Name: Humans Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
MUC2_Mucin_Domain_Peptide: XPTTTPLKX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	27
15N chemical shifts	5
1H chemical shifts	53

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	MUC2_Mucin_Domain_Peptide	1

Entities:

Entity 1, MUC2_Mucin_Domain_Peptide 9 residues - 781.948 Da.

Non-glycosylated peptide

1

X

PRO

THR

PRO

LEU

LYS

X

Samples:

sample_1: MUC2_Mucin_Domain_Peptide2 – 10 mM; H2O 90%; D2O 10%

sample_2: MUC2_Mucin_Domain_Peptide2 – 10 mM; D2O 100%

sample_conditions_all: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_all
3D TOCSY-NOESY	sample_1	isotropic	sample_conditions_all
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_all
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_all
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_all
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_all
2D 1H-13C HMBC	sample_1	isotropic	sample_conditions_all

Software:

CNS, Brunger A. T. et.al. - structure solution

NMR spectrometers:

Varian INOVA 600 MHz
Varian INOVA 800 MHz
Varian INOVA 900 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks