BMRB Entry 52583

Name: Backbone and methyl assignments for stabIL-2 S1
Published: 2025-01-22

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52583

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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 and methyl assignments for stabIL-2 S1

Deposition date:

2024-08-13

Original release date:

2025-01-22

Authors:

Woodward, Claire; Sgourakis, Nikolaos

Citation:

Citation: Woodward, Claire; Solieva, Shahlo; Hwang, Daniel; De Paula, Viviane; Fabilane, Charina; Young, Michael; Trent, Tony; Teeley, Ella; Majumdar, Ananya; Spangler, Jamie; Bowman, Gregory; Sgourakis, Nikolaos. "Regulating IL-2 Immune Signaling Function Via A Core Allosteric Structural Network" J. Mol. Biol. 437, 168892-168892 (2025).
PubMed: 39662679

Assembly members:

Assembly members:
entity_1, polymer, 131 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: pET-24a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: APTSSSTKKTQLQLEHLLLD LQMILNMLNNYDNPKLTRLL TFKFYMPKKATSLKHLQCLE EELKPLEEALNAAGDDPKTI RDVVSNINVFVLELKGSETT FMCEYADETATIIEFLNRWI TFSQSIISTLT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	409
15N chemical shifts	118
1H chemical shifts	286

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	S1	1

Entities:

Entity 1, S1 131 residues - Formula weight is not available

1

ALA

PRO

THR

SER

THR

LYS

THR

2

GLN

LEU

GLN

LEU

GLU

HIS

LEU

ASP

3

LEU

GLN

MET

ILE

LEU

ASN

MET

LEU

ASN

4

TYR

ASP

ASN

PRO

LYS

LEU

THR

ARG

LEU

5

THR

PHE

LYS

PHE

TYR

MET

PRO

LYS

ALA

6

THR

SER

LEU

LYS

HIS

LEU

GLN

CYS

LEU

GLU

7

GLU

LEU

LYS

PRO

LEU

GLU

ALA

LEU

8

ASN

ALA

GLY

ASP

PRO

LYS

THR

ILE

9

ARG

ASP

VAL

SER

ASN

ILE

ASN

VAL

PHE

10

VAL

LEU

GLU

LEU

LYS

GLY

SER

GLU

THR

11

PHE

MET

CYS

GLU

TYR

ALA

ASP

GLU

THR

ALA

12

THR

ILE

GLU

PHE

LEU

ASN

ARG

TRP

ILE

13

THR

PHE

SER

GLN

SER

ILE

SER

THR

LEU

14

THR

Samples:

sample_1: S1, [U-13C; U-15N; U-2H], 287.5 uM; sodium phosphate 20 mM; NaCl 50 mM

sample_2: S1, [U-15N; U-2H] 13CH3-Ile,Leu,Val, 287.5 uM; sodium phosphate 20 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HMQC	sample_2	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_2	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CA)CB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1

Software:

NMRPipe - processing

NMRFAM-SPARKY - chemical shift assignment

POKY - chemical shift assignment

TALOS-N - chemical shift assignment

NMR spectrometers:

Bruker AVANCE NEO 600 MHz
Bruker AVANCE NEO 800 MHz

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