BMRB Entry 16455

Name: Study of the interaction between salivary proline-rich proteins and a polyphenol by 1H-NMR spectroscopy
Published: 2010-03-08

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16455

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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:

Study of the interaction between salivary proline-rich proteins and a polyphenol by 1H-NMR spectroscopy

Deposition date:

2009-08-19

Original release date:

2010-03-08

Authors:

Murray, Nicola; Williamson, Michael; Lilley, Terence; Haslam, Edwin

Citation:

Citation: Murray, Nicola; Williamson, Michael; Lilley, Terence; Haslam, Edwin. "Study of the interaction between salivary proline-rich proteins and a polyphenol by 1H-NMR spectroscopy" Eur. J. Biochem. 219, 923-935 (1994).
PubMed: 8112344

Assembly members:

Assembly members:
Peptide_2, polymer, 22 residues, Formula weight is not available
BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE, non-polymer, 940.677 Da.

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Peptide_2: GPQQRPPQPGNQQGPPPQGG PQ

Data sets:

binding_constants

Data type	Count
binding constants	19

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Peptide_2	1
2	Gall5Glc	2

Entities:

Entity 1, Peptide_2 22 residues - Formula weight is not available

1

GLY

PRO

GLN

ARG

PRO

GLN

PRO

GLY

2

ASN

GLN

GLY

PRO

GLN

GLY

3

PRO

GLN

Entity 2, Gall5Glc - C41 H32 O26 - 940.677 Da.

1

GGP

Samples:

sample_2: Peptide 2 2 mM; H2O 90%; DMSO 10%

sample_3: Gall5Glc .4 mM; Peptide 2 2 mM; H2O 90%; DMSO 10%

sample_4: Gall5Glc .78 mM; Peptide 2 1.95 mM; H2O 90%; DMSO 10%

sample_5: Gall5Glc 1.17 mM; Peptide 2 1.95 mM; H2O 90%; DMSO 10%

sample_6: Gall5Glc 1.54 mM; Peptide 2 1.92 mM; H2O 90%; DMSO 10%

sample_7: Gall5Glc 1.91 mM; Peptide 2 1.91 mM; H2O 90%; DMSO 10%

sample_8: Gall5Glc 2.26 mM; Peptide 2 1.88 mM; H2O 90%; DMSO 10%

sample_9: Gall5Glc 2.62 mM; Peptide 2 1.87 mM; H2O 90%; DMSO 10%

sample_10: Gall5Glc 2.96 mM; Peptide 2 1.85 mM; H2O 90%; DMSO 10%

sample_11: Gall5Glc 3.64 mM; Peptide 2 1.82 mM; H2O 90%; DMSO 10%

sample_12: Gall5Glc 4.29 mM; Peptide 2 1.79 mM; H2O 90%; DMSO 10%

sample_13: Gall5Glc 4.91 mM; Peptide 2 1.75 mM; H2O 90%; DMSO 10%

sample_14: Gall5Glc 5.52 mM; Peptide 2 1.72 mM; H2O 90%; DMSO 10%

sample_15: Gall5Glc 6.10 mM; Peptide 2 1.69 mM; H2O 90%; DMSO 10%

sample_16: Gall5Glc 6.67 mM; Peptide 2 1.67 mM; H2O 90%; DMSO 10%

sample_17: Gall5Glc 7.21 mM; Peptide 2 1.64 mM; H2O 90%; DMSO 10%

sample_18: Gall5Glc 7.74 mM; Peptide 2 1.61 mM; H2O 90%; DMSO 10%

sample_19: Gall5Glc 8.25 mM; Peptide 2 1.59 mM; H2O 90%; DMSO 10%

sample_20: Gall5Glc 8.75 mM; Peptide 2 1.56 mM; H2O 90%; DMSO 10%

sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 276 K

Experiments:

Name	Sample	Sample state	Sample conditions
ROESY	sample_7	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_3	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_4	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_5	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_6	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_7	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_8	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_9	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_10	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_11	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_12	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_13	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_14	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_15	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_16	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_17	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_18	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_19	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_20	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_17	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_20	isotropic	sample_conditions_1

EMBL	CAA44733 CAA44734
GB	AAI71935 AAI71936 ABR45898 EDL29792 EDL29793
REF	NP_001171059 XP_006506909 XP_011236341

BMRB Entry 16455

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

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