BMRB Entry 51818

Name: Backbone 1H, 13C, 15N Chemical Shift Assignment for Human Transthyretin in Solution
Published: 2024-07-29

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51818

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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, 15N Chemical Shift Assignment for Human Transthyretin in Solution

Deposition date:

2023-02-02

Original release date:

2024-07-29

Authors:

Cerofolini, Linda; Vasa, Kristian; Bianconi, Elisa; Salobehaj, Maria; Cappelli, Giulia; Licciardi, Giulia; Perez-Rafols, Anna; Luis, Padilla; Antonacci, Sabrina; Rizzo, Domenico; Ravera, Enrico; Calderone, Vito; Parigi, Giacomo; Luchinat, Claudio; Macchiarulo, Antonio; Menichetti, Stefano; Fragai, Marco

Citation:

Citation: Cerofolini, Linda; Vasa, Kristian; Bianconi, Elisa; Salobehaj, Maria; Cappelli, Giulia; Bonciani, Alice; Licciardi, Giulia; Perez-Rafols, Anna; Padilla-Cortes, Luis; Antonacci, Sabrina; Rizzo, Domenico; Ravera, Enrico; Viglianisi, Caterina; Calderone, Vito; Parigi, Giacomo; Luchinat, Claudio; Macchiarulo, Antonio; Menichetti, Stefano; Fragai, Marco. "Combining Solid-State NMR with Structural and Biophysical Techniques to Design Challenging Protein-Drug Conjugates" Angew. Chem. Int. Ed. Engl. 62, e202303202-e202303202 (2023).
PubMed: 37276329

Assembly members:

Assembly members:
entity_1, polymer, 128 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: BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MGPTGTGESKCPLMVKVLDA VRGSPAINVAVHVFRKAADD TWEPFASGKTSESGELHGLT TEEEFVEGIYKVEIDTKSYW KALGISPFHEHAEVVFTAND SGPRRYTIAALLSPYSYSTT AVVTNPKE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	346
15N chemical shifts	116
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	TTR subunit 1	1
2	TTR subunit 2	1
3	TTR subunit 3	1
4	TTR subunit 4	1

Entities:

Entity 1, TTR subunit 1 128 residues - Formula weight is not available

1

MET

GLY

PRO

THR

GLY

THR

GLY

GLU

SER

LYS

2

CYS

PRO

LEU

MET

VAL

LYS

VAL

LEU

ASP

ALA

3

VAL

ARG

GLY

SER

PRO

ALA

ILE

ASN

VAL

ALA

4

VAL

HIS

VAL

PHE

ARG

LYS

ALA

ASP

5

THR

TRP

GLU

PRO

PHE

ALA

SER

GLY

LYS

THR

6

SER

GLU

SER

GLY

GLU

LEU

HIS

GLY

LEU

THR

7

THR

GLU

PHE

VAL

GLU

GLY

ILE

TYR

8

LYS

VAL

GLU

ILE

ASP

THR

LYS

SER

TYR

TRP

9

LYS

ALA

LEU

GLY

ILE

SER

PRO

PHE

HIS

GLU

10

HIS

ALA

GLU

VAL

PHE

THR

ALA

ASN

ASP

11

SER

GLY

PRO

ARG

TYR

THR

ILE

ALA

12

LEU

SER

PRO

TYR

SER

TYR

SER

THR

13

ALA

VAL

THR

ASN

PRO

LYS

GLU

Samples:

sample_1: Tetrameric Transthyretin, [U-100% 13C; U-100% 15N; U-100% 2H], 0.125 mM; MES 50 mM; DTT 5 mM; NaCl 100 mM; NaN3 0.1%; protease inhibitors 1 mM; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 310 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D trHNCA	sample_1	isotropic	sample_conditions_1
3D trHNCACB	sample_1	isotropic	sample_conditions_1
3D trHNCO	sample_1	isotropic	sample_conditions_1
3D trHN(CA)CO	sample_1	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1

Software:

CARA - chemical shift assignment

TOPSPIN v3.2 - processing

TOPSPIN v3.2 - collection

NMR spectrometers:

Bruker AVANCE NEO 900 MHz
Bruker Avance MHD 950 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks