BMRB Entry 27814

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments of both isoforms of ITSN1 SH3A
Published: 2019-03-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27814

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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:

Backbone 1H, 13C, and 15N Chemical Shift Assignments of both isoforms of ITSN1 SH3A

Deposition date:

2019-03-03

Original release date:

2019-03-15

Authors:

Gerth, Fabian; Jaepel, Maria; Sticht, Jana; Schmitt, Xiao; Kuropka, Benno; Driller, Jan; Loll, Bernhard; Wahl, Markus; Pagel, Kevin; Haucke, Volker; Freund, Christian

Citation:

Citation: Gerth, Fabian; Jaepel, Maria; Sticht, Jana; Schmitt, Xiao; Kuropka, Benno; Driller, Jan; Loll, Bernhard; Wahl, Markus; Pagel, Kevin; Haucke, Volker; Freund, Christian. "Exon Inclusion Modulates Conformational Plasticity and Autoinhibition of the Intersectin 1 SH3A Domain." Structure 27, 977-987 (2019).
PubMed: 31031201

Assembly members:

Assembly members:
ITSN1_SH3A, polymer, 70 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ITSN1_SH3A: GSHMKVVYYRALYPFESRSH DEITIQPGDIVMVKGEWVDE SQTGEPGWLGGELKGKTGWF PANYAEKIPE

Data sets:

assigned_chemical_shifts
- SH3A_shift_list
- SH3A_conformation2_shift_list

Data type	Count
13C chemical shifts	83
15N chemical shifts	71
1H chemical shifts	71

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	SH3A, conformer 1	1
2	SH3A, conformer 2	1

Entities:

Entity 1, SH3A, conformer 1 70 residues - Formula weight is not available

This is the long splice isoform of the SH3A domain, residues GSHM at the N-terminus are non-native.

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

Samples:

sample_1: ITSN1 SH3A, [U-100% 13C; U-100% 15N], 400 uM; NaCl 50 mM

all_samples_conditions: pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	all_samples_conditions
3D HNCA	sample_1	isotropic	all_samples_conditions
3D HN(CO)CA	sample_1	isotropic	all_samples_conditions

Software:

CcpNMR_Analysis, CCPN - chemical shift assignment

TOPSPIN v3, Bruker - collection, processing, refinement

NMR spectrometers:

Bruker Avance 700 MHz

UNP	Q15811-1
AlphaFold	Q9UQ92

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

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