BMRB Entry 27820

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments of ITSN1 L_SH3D20
Published: 2019-03-15

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27820

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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 ITSN1 L_SH3D20

Deposition date:

2019-03-04

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_L-SH3AD20, polymer, 85 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_L-SH3AD20: GSHMQAPWSTAEKGPLTISA QENVKVVYYRALYPFESRSH DEITIQPGDIVMVDESQTGE PGWLGGELKGKTGWFPANYA EKIPE

Data sets:

assigned_chemical_shifts
- L_SH3AD20_shift_list

Data type	Count
13C chemical shifts	76
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	L-SH3AD20	1

Entities:

Entity 1, L-SH3AD20 85 residues - Formula weight is not available

This is the short splice isoform of the SH3A domain (SH3AD20) with N-terminal extension, residues GSHM at the N-terminus are non-native.

1

GLY

SER

HIS

MET

GLN

ALA

PRO

TRP

SER

THR

2

ALA

GLU

LYS

GLY

PRO

LEU

THR

ILE

SER

ALA

3

GLN

GLU

ASN

VAL

LYS

VAL

TYR

ARG

4

ALA

LEU

TYR

PRO

PHE

GLU

SER

ARG

SER

HIS

5

ASP

GLU

ILE

THR

ILE

GLN

PRO

GLY

ASP

ILE

6

VAL

MET

VAL

ASP

GLU

SER

GLN

THR

GLY

GLU

7

PRO

GLY

TRP

LEU

GLY

GLU

LEU

LYS

GLY

8

LYS

THR

GLY

TRP

PHE

PRO

ALA

ASN

TYR

ALA

9

GLU

LYS

ILE

PRO

GLU

Samples:

sample_1: ITSN1 L-SH3AD20, [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	Q15811-3
AlphaFold	Q9UQ92