BMRB Entry 26780

Name: Chemical Shift Assignments for Interleukin-36alpha
Published: 2017-04-25

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26780

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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: Chemical Shift Assignments for Interleukin-36alpha PubMed: 27351892

Deposition date: 2016-04-18 Original release date: 2017-04-25

Authors: Ohlenschlaeger, Oliver; Goradia, Nishit

Citation: Goradia, Nishit; Wissbrock, Amelie; Wiedemann, Christoph; Bordusa, Frank; Ramachandran, Ramadurai; Imhof, Diana; Ohlenschlaeger, Oliver. "(1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36alpha" Biomol. NMR Assign. 10, 329-333 (2016).

Assembly members:
Interleukin-36alpha, polymer, 161 residues, 17965.6 Da.

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

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

Entity Sequences (FASTA):
Interleukin-36alpha: GSHMEKALKIDTPQQGSIQD INHRVWVLQDQTLIAVPRKD RMSPVTIALISCRHVETLEK DRGNPIYLGLNGLNLCLMCA KVGDQPTLQLKEKDIMDLYN QPEPVKSFLFYHSQSGRNST FESVAFPGWFIAVSSEGGCP LILTQELGKANTTDFGLTML F

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	645
15N chemical shifts	144
1H chemical shifts	1030

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	IL36A	1

Entities:

Entity 1, IL36A 161 residues - 17965.6 Da.

Residues 1-3 represent a non-native cloning artifact

1

GLY

SER

HIS

MET

GLU

LYS

ALA

LEU

LYS

ILE

2

ASP

THR

PRO

GLN

GLY

SER

ILE

GLN

ASP

3

ILE

ASN

HIS

ARG

VAL

TRP

VAL

LEU

GLN

ASP

4

GLN

THR

LEU

ILE

ALA

VAL

PRO

ARG

LYS

ASP

5

ARG

MET

SER

PRO

VAL

THR

ILE

ALA

LEU

ILE

6

SER

CYS

ARG

HIS

VAL

GLU

THR

LEU

GLU

LYS

7

ASP

ARG

GLY

ASN

PRO

ILE

TYR

LEU

GLY

LEU

8

ASN

GLY

LEU

ASN

LEU

CYS

LEU

MET

CYS

ALA

9

LYS

VAL

GLY

ASP

GLN

PRO

THR

LEU

GLN

LEU

10

LYS

GLU

LYS

ASP

ILE

MET

ASP

LEU

TYR

ASN

11

GLN

PRO

GLU

PRO

VAL

LYS

SER

PHE

LEU

PHE

12

TYR

HIS

SER

GLN

SER

GLY

ARG

ASN

SER

THR

13

PHE

GLU

SER

VAL

ALA

PHE

PRO

GLY

TRP

PHE

14

ILE

ALA

VAL

SER

GLU

GLY

CYS

PRO

15

LEU

ILE

LEU

THR

GLN

GLU

LEU

GLY

LYS

ALA

16

ASN

THR

ASP

PHE

GLY

LEU

THR

MET

LEU

17

PHE

Samples:

sample_1: Interleukin-36alpha, [U-100% 13C; U-100% 15N], 1.3 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

sample_2: Interleukin-36alpha, [U-100% 15N], 1.3 mM; sodium phosphate 20 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 6.9; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_2	isotropic	sample_conditions_1
3D H(CCO)NH	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_2	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - collection, processing

CCPN, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 750 MHz
Bruker Avance 700 MHz
Bruker Avance 600 MHz

Biological Magnetic Resonance Data Bank