BMRB Entry 19590

Name: Aliphatic 13C Chemical Shift Assignments For the Unfolded State of the Fyn SH3 Domain G48A Mutant
Published: 2014-02-11

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19590

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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:

Aliphatic 13C Chemical Shift Assignments For the Unfolded State of the Fyn SH3 Domain G48A Mutant

Deposition date:

2013-10-30

Original release date:

2014-02-11

Authors:

Bouvignies, Guillaume; Vallurupalli, Pramodh; Kay, Lewis

Citation:

Citation: Bouvignies, Guillaume; Vallurupalli, Pramodh; Kay, Lewis. "Visualizing side chains of invisible protein conformers by solution NMR." J. Mol. Biol. 426, 763-774 (2014).
PubMed: 24211467

Assembly members:

Assembly members:
Fyn_SH3_G48A, polymer, 60 residues, 6921.4 Da.

Natural source:

Natural source: Common Name: chicken Taxonomy ID: 9031 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Gallus gallus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-29b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Fyn_SH3_G48A: STLFEALYDYEARTEDDLSF HKGEKFQILNSSEGDWWEAR SLTTGETAYIPSNYVAPVDR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	164

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Fyn_SH3_G48A, 1	1
2	Fyn_SH3_G48A, 2	1

Entities:

Entity 1, Fyn_SH3_G48A, 1 60 residues - 6921.4 Da.

1	SER	THR	LEU	PHE	GLU	ALA	LEU	TYR	ASP	TYR
2	GLU	ALA	ARG	THR	GLU	ASP	ASP	LEU	SER	PHE
3	HIS	LYS	GLY	GLU	LYS	PHE	GLN	ILE	LEU	ASN
4	SER	SER	GLU	GLY	ASP	TRP	TRP	GLU	ALA	ARG
5	SER	LEU	THR	THR	GLY	GLU	THR	ALA	TYR	ILE
6	PRO	SER	ASN	TYR	VAL	ALA	PRO	VAL	ASP	ARG

Samples:

sample_1: Fyn_SH3_G48A, [U-100% 13C; U-100% 15N], 2.0 mM; sodium phosphate 50 mM; EDTA 0.2 mM; sodium azide 0.05%; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D aliphatic 13C CEST	sample_1	isotropic	sample_conditions_1

Software:

NMRPipe v7.5 Rev 2012.204.11.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMR spectrometers:

Varian INOVA 600 MHz

UNP	Q05876
EMBL	CAA37025
SP	Q05876
AlphaFold	Q05876 Q05876

1	SER	THR	LEU	PHE	GLU	ALA	LEU	TYR	ASP	TYR
2	GLU	ALA	ARG	THR	GLU	ASP	ASP	LEU	SER	PHE
3	HIS	LYS	GLY	GLU	LYS	PHE	GLN	ILE	LEU	ASN
4	SER	SER	GLU	GLY	ASP	TRP	TRP	GLU	ALA	ARG
5	SER	LEU	THR	THR	GLY	GLU	THR	ALA	TYR	ILE
6	PRO	SER	ASN	TYR	VAL	ALA	PRO	VAL	ASP	ARG

1	SER	THR	LEU	PHE	GLU	ALA	LEU	TYR	ASP	TYR
2	GLU	ALA	ARG	THR	GLU	ASP	ASP	LEU	SER	PHE
3	HIS	LYS	GLY	GLU	LYS	PHE	GLN	ILE	LEU	ASN
4	SER	SER	GLU	GLY	ASP	TRP	TRP	GLU	ALA	ARG
5	SER	LEU	THR	THR	GLY	GLU	THR	ALA	TYR	ILE
6	PRO	SER	ASN	TYR	VAL	ALA	PRO	VAL	ASP	ARG