BMRB Entry 51358

Name: 1H, 13C and 15N resonance assignments of diglycosylated TSR3 domain of human Thrombospondin-1
Published: 2022-05-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51358

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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:

1H, 13C and 15N resonance assignments of diglycosylated TSR3 domain of human Thrombospondin-1

Deposition date:

2022-03-10

Original release date:

2022-05-27

Authors:

Eletsky, Alexander; Berardinelli, Steven; Ito, Atsuko; Takeuchi, Megumi; Haltiwanger, Robert

Citation:

Citation: Berardinelli, Steven; Eletsky, Alexander; Valero-Gonzales, Jessika; Ito, Atsuko; Manjunath, Rajashri; Hurtado-Gurerro, Ramon; Prestegard, James; Woods, Robert; Haltiwanger, Robert. "O-Fucosylation stabilizes the TSR3 motif in Thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond" J. Biol. Chem. 298, 102047-102047 (2022).
PubMed: 35597280

Assembly members:

Assembly members:
entity_1, polymer, 75 residues, Formula weight is not available
entity_FUC, non-polymer, 164.156 Da.
entity_BGC, non-polymer, 180.156 Da.

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: pET20b+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDIGINSDPINGGWGPWSPW DICSVTCGGGVQKRSRLCNN PAPQFGGKDCVGDVTENQIC NKQDCPILEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	173
15N chemical shifts	74
1H chemical shifts	386

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TSR3	1
2	fucose	2
3	glucose	3

Entities:

Entity 1, TSR3 75 residues - Formula weight is not available

Residues 9-67 correspond to segment 490-548 of the native thrombospondin-1. Residues 1-8 and 68-75 represent non-native expression and purification tags. Residue 42 represents a naturally occuring sequence variant p.Thr523Ala.

1

MET

ASP

ILE

GLY

ILE

ASN

SER

ASP

PRO

ILE

2

ASN

GLY

TRP

GLY

PRO

TRP

SER

PRO

TRP

3

ASP

ILE

CYS

SER

VAL

THR

CYS

GLY

4

VAL

GLN

LYS

ARG

SER

ARG

LEU

CYS

ASN

5

PRO

ALA

PRO

GLN

PHE

GLY

LYS

ASP

CYS

6

VAL

GLY

ASP

VAL

THR

GLU

ASN

GLN

ILE

CYS

7

ASN

LYS

GLN

ASP

CYS

PRO

ILE

LEU

GLU

HIS

8

HIS

Entity 2, fucose - C6 H12 O5 - 164.156 Da.

1

FUC

Entity 3, glucose - C6 H12 O6 - 180.156 Da.

1

BGC

Samples:

sample_1: TSR3, [U-13C; U-15N], 240 uM; fucose 240 uM; glucose 240 uM; sodium phosphate 20 mM; sodium chloride 100 mM; DSS 4 uM; sodium azide 0.02%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC aliphatic	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

CARA - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 900 MHz
Bruker AVANCE NEO 900 MHz

UNP	P07996
AlphaFold	Q59E99