BMRB Entry 28104

Name: Backbone and ILV methyl assignments of human Interleukin-2
Published: 2020-12-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28104

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Backbone and ILV methyl assignments of human Interleukin-2 PubMed: 33514730

Deposition date: 2020-03-23 Original release date: 2020-12-02

Authors: De Paula, Viviane; Sgourakis, Nikolaos

Citation: Nerli, Santrupti; De Paula, Viviane; McShan, Andrew; Sgourakis, Nikolaos. "Backbone-independent NMR resonance assignments of methyl probes in large proteins" Nat. Commun. 12, 691-691 (2021).

Assembly members:
Human_Interleukin-2, polymer, 133 residues, Formula weight is not available

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b

Entity Sequences (FASTA):
Human_Interleukin-2: APTSSSTKKTQLQLEHLLLD LQMILNGINNYKNPKLTRML TFKFYMPKKATELKHLQCLE EELKPLEEVLNLAQSKNFHL RPRDLISNINVIVLELKGSE TTFMCEYADETATIVEFLNR WITFSQSIISTLT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	318
15N chemical shifts	126
1H chemical shifts	303

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Human Interleukin-2	1

Entities:

Entity 1, Human Interleukin-2 133 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

GLY

ILE

ASN

4

TYR

LYS

ASN

PRO

LYS

LEU

THR

ARG

MET

LEU

5

THR

PHE

LYS

PHE

TYR

MET

PRO

LYS

ALA

6

THR

GLU

LEU

LYS

HIS

LEU

GLN

CYS

LEU

GLU

7

GLU

LEU

LYS

PRO

LEU

GLU

VAL

LEU

8

ASN

LEU

ALA

GLN

SER

LYS

ASN

PHE

HIS

LEU

9

ARG

PRO

ARG

ASP

LEU

ILE

SER

ASN

ILE

ASN

10

VAL

ILE

VAL

LEU

GLU

LEU

LYS

GLY

SER

GLU

11

THR

PHE

MET

CYS

GLU

TYR

ALA

ASP

GLU

12

THR

ALA

THR

ILE

VAL

GLU

PHE

LEU

ASN

ARG

13

TRP

ILE

THR

PHE

SER

GLN

SER

ILE

SER

14

THR

LEU

THR

Samples:

sample_1: Human Interleukin-2, [U-13C; U-15N; U-2H; ILVmethyl], 0.4 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_2: Human Interleukin-2, [U-100% 13C; U-100% 15N; ILVmethyl], 0.9 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_3: Human Interleukin-2, [U-13C; U-15N; U-2H; IL(CD2)V(CG2)methyl], 0.4 mM; sodium phosphate 20 mM; sodium chloride 50 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCA	sample_2	isotropic	sample_conditions_1
3D HN(COCA)CB	sample_2	isotropic	sample_conditions_1
2D 1H-15N TROSY	sample_2	isotropic	sample_conditions_1
1H-13C SOFAST HMQC	sample_1	isotropic	sample_conditions_1
1H-15N SOFAST HMQC	sample_2	isotropic	sample_conditions_1
3D Hn-CmHm SOFAST NOESY HMQC	sample_2	isotropic	sample_conditions_1
3D Cm-CmHm SOFAST HMQC NOESY HMQC	sample_1	isotropic	sample_conditions_1
3D N-CmHm SOFAST NOESY HMQC	sample_2	isotropic	sample_conditions_1
1H-13C SOFAST HMQC	sample_3	isotropic	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

CCPN, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 800 MHz

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