BMRB Entry 27970

Name: ILV(proS) methyl assignment of mIL-2 in complex with JES6-1 scFV antibody
Published: 2020-04-03

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27970

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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:

ILV(proS) methyl assignment of mIL-2 in complex with JES6-1 scFV antibody

Deposition date:

2019-07-11

Original release date:

2020-04-03

Authors:

De Paula, Viviane; Sgourakis, Nikolaos

Citation:

Citation: De Paula, Viviane; Jude, Kevin; Nerli, Santrupti; Glassman, Caleb; Garcia, K Christopher; Sgourakis, Nikolaos. "Interleukin-2 druggability is modulated by global conformational transitions controlled by a helical capping switch" Proc. Natl. Acad. Sci. U.S.A. 117, 7183-7192 (2020).
PubMed: 32184322

Assembly members:

Assembly members:
mIL-2/JES6-1_complex, polymer, 160 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
mIL-2/JES6-1_complex: APTSSSTSSSTAEAQQQQQQ QQQQQQHLEQLLMDLQELLS RMENYRNLKLPRMLTFKFYL PKQATELKDLQCLEDELGPL RHVLDLTQSKSFQLEDAENF ISNIRVTVVKLKGSDNTFEC QFDDESATVVDFLRRWIAFC QSIISTSPQAAAHHHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	25
1H chemical shifts	75

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	mIL-2/JES6-1 complex	1

Entities:

Entity 1, mIL-2/JES6-1 complex 160 residues - Formula weight is not available

1	ALA	PRO	THR	SER	SER	SER	THR	SER	SER	SER
2	THR	ALA	GLU	ALA	GLN	GLN	GLN	GLN	GLN	GLN
3	GLN	GLN	GLN	GLN	GLN	GLN	HIS	LEU	GLU	GLN
4	LEU	LEU	MET	ASP	LEU	GLN	GLU	LEU	LEU	SER
5	ARG	MET	GLU	ASN	TYR	ARG	ASN	LEU	LYS	LEU
6	PRO	ARG	MET	LEU	THR	PHE	LYS	PHE	TYR	LEU
7	PRO	LYS	GLN	ALA	THR	GLU	LEU	LYS	ASP	LEU
8	GLN	CYS	LEU	GLU	ASP	GLU	LEU	GLY	PRO	LEU
9	ARG	HIS	VAL	LEU	ASP	LEU	THR	GLN	SER	LYS
10	SER	PHE	GLN	LEU	GLU	ASP	ALA	GLU	ASN	PHE
11	ILE	SER	ASN	ILE	ARG	VAL	THR	VAL	VAL	LYS
12	LEU	LYS	GLY	SER	ASP	ASN	THR	PHE	GLU	CYS
13	GLN	PHE	ASP	ASP	GLU	SER	ALA	THR	VAL	VAL
14	ASP	PHE	LEU	ARG	ARG	TRP	ILE	ALA	PHE	CYS
15	GLN	SER	ILE	ILE	SER	THR	SER	PRO	GLN	ALA
16	ALA	ALA	HIS	HIS	HIS	HIS	HIS	HIS	HIS	HIS

Samples:

sample_1: mIL-2/JES6-1 complex, [U-13C; U-15N; U-2H; ILV(proS) methyl], 200 mM; sodium chloride 150 mM

sample_conditions_1: ionic strength: 150 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HMQC methyl	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic (CCH)	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic (HCH)	sample_1	isotropic	sample_conditions_1

Software:

CCPN, CCPN, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - chemical shift assignment, processing

NMR spectrometers:

Bruker Avance 800 MHz

1	ALA	PRO	THR	SER	SER	SER	THR	SER	SER	SER
2	THR	ALA	GLU	ALA	GLN	GLN	GLN	GLN	GLN	GLN
3	GLN	GLN	GLN	GLN	GLN	GLN	HIS	LEU	GLU	GLN
4	LEU	LEU	MET	ASP	LEU	GLN	GLU	LEU	LEU	SER
5	ARG	MET	GLU	ASN	TYR	ARG	ASN	LEU	LYS	LEU
6	PRO	ARG	MET	LEU	THR	PHE	LYS	PHE	TYR	LEU
7	PRO	LYS	GLN	ALA	THR	GLU	LEU	LYS	ASP	LEU
8	GLN	CYS	LEU	GLU	ASP	GLU	LEU	GLY	PRO	LEU
9	ARG	HIS	VAL	LEU	ASP	LEU	THR	GLN	SER	LYS
10	SER	PHE	GLN	LEU	GLU	ASP	ALA	GLU	ASN	PHE
11	ILE	SER	ASN	ILE	ARG	VAL	THR	VAL	VAL	LYS
12	LEU	LYS	GLY	SER	ASP	ASN	THR	PHE	GLU	CYS
13	GLN	PHE	ASP	ASP	GLU	SER	ALA	THR	VAL	VAL
14	ASP	PHE	LEU	ARG	ARG	TRP	ILE	ALA	PHE	CYS
15	GLN	SER	ILE	ILE	SER	THR	SER	PRO	GLN	ALA
16	ALA	ALA	HIS	HIS	HIS	HIS	HIS	HIS	HIS	HIS

1	ALA	PRO	THR	SER	SER	SER	THR	SER	SER	SER
2	THR	ALA	GLU	ALA	GLN	GLN	GLN	GLN	GLN	GLN
3	GLN	GLN	GLN	GLN	GLN	GLN	HIS	LEU	GLU	GLN
4	LEU	LEU	MET	ASP	LEU	GLN	GLU	LEU	LEU	SER
5	ARG	MET	GLU	ASN	TYR	ARG	ASN	LEU	LYS	LEU
6	PRO	ARG	MET	LEU	THR	PHE	LYS	PHE	TYR	LEU
7	PRO	LYS	GLN	ALA	THR	GLU	LEU	LYS	ASP	LEU
8	GLN	CYS	LEU	GLU	ASP	GLU	LEU	GLY	PRO	LEU
9	ARG	HIS	VAL	LEU	ASP	LEU	THR	GLN	SER	LYS
10	SER	PHE	GLN	LEU	GLU	ASP	ALA	GLU	ASN	PHE
11	ILE	SER	ASN	ILE	ARG	VAL	THR	VAL	VAL	LYS
12	LEU	LYS	GLY	SER	ASP	ASN	THR	PHE	GLU	CYS
13	GLN	PHE	ASP	ASP	GLU	SER	ALA	THR	VAL	VAL
14	ASP	PHE	LEU	ARG	ARG	TRP	ILE	ALA	PHE	CYS
15	GLN	SER	ILE	ILE	SER	THR	SER	PRO	GLN	ALA
16	ALA	ALA	HIS	HIS	HIS	HIS	HIS	HIS	HIS	HIS

1	ALA	PRO	THR	SER	SER	SER	THR	SER	SER	SER
2	THR	ALA	GLU	ALA	GLN	GLN	GLN	GLN	GLN	GLN
3	GLN	GLN	GLN	GLN	GLN	GLN	HIS	LEU	GLU	GLN
4	LEU	LEU	MET	ASP	LEU	GLN	GLU	LEU	LEU	SER
5	ARG	MET	GLU	ASN	TYR	ARG	ASN	LEU	LYS	LEU
6	PRO	ARG	MET	LEU	THR	PHE	LYS	PHE	TYR	LEU
7	PRO	LYS	GLN	ALA	THR	GLU	LEU	LYS	ASP	LEU
8	GLN	CYS	LEU	GLU	ASP	GLU	LEU	GLY	PRO	LEU
9	ARG	HIS	VAL	LEU	ASP	LEU	THR	GLN	SER	LYS
10	SER	PHE	GLN	LEU	GLU	ASP	ALA	GLU	ASN	PHE
11	ILE	SER	ASN	ILE	ARG	VAL	THR	VAL	VAL	LYS
12	LEU	LYS	GLY	SER	ASP	ASN	THR	PHE	GLU	CYS
13	GLN	PHE	ASP	ASP	GLU	SER	ALA	THR	VAL	VAL
14	ASP	PHE	LEU	ARG	ARG	TRP	ILE	ALA	PHE	CYS
15	GLN	SER	ILE	ILE	SER	THR	SER	PRO	GLN	ALA
16	ALA	ALA	HIS	HIS	HIS	HIS	HIS	HIS	HIS	HIS