BMRB: 5004

1H, 13C, 13CO, and 15N Chemical Shift Assignments for human IL-13

Authors

Moy, F.J., Diblasio, E., Wilhelm, J., Powers, R.

Assembly

human interleukin-13

Entity

1. human interleukin-13 (polymer, Thiol state: all disulfide bound), 113 monomers, 12475.45 Da Detail

MGPVPPSTAL RELIEELVNI TQNQKAPLCN GSMVWSINLT AGMYCAALES LINVSGCSAI EKTQRMLSGF CPHKVSAGQF SSLHVRDTKI EVAQFVKDLL LHLKKLFREG RFN

Formula weight

12475.45 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	0:CYS29:SG	1:CYS57:SG
2	disulfide	sing	0:CYS45:SG	1:CYS71:SG

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 96.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	93.4 % (1233 of 1320)	92.4 % (634 of 686)	96.1 % (494 of 514)	87.5 % (105 of 120)
Backbone	96.0 % (641 of 668)	95.6 % (218 of 228)	96.4 % (320 of 332)	95.4 % (103 of 108)
Sidechain	91.8 % (696 of 758)	90.8 % (416 of 458)	96.5 % (278 of 288)	16.7 % (2 of 12)
Aromatic	95.1 % (78 of 82)	92.7 % (38 of 41)	97.5 % (39 of 40)	100.0 % (1 of 1)
Methyl	98.6 % (136 of 138)	100.0 % (69 of 69)	97.1 % (67 of 69)

1. interleukin-13

MGPVPPSTAL RELIEELVNI TQNQKAPLCN GSMVWSINLT AGMYCAALES LINVSGCSAI EKTQRMLSGF CPHKVSAGQF SSLHVRDTKI EVAQFVKDLL LHLKKLFREG RFN

Show sample condition

Sample #1

Temperature 298 (±0) K, pH 6.0 (±0.0)

#	Name	Isotope labeling	Type	Concentration
1	interleukin-13	[U-95% 13C; U-95% 15N]		1.0 mM
2	phosphate buffer			40 mM
3	NaN3			2 mM
4	NaCl			40 mM
5	H2O			90 %
6	D2O			10 %

Sample #2

Temperature 298 (±0) K, pH 6.0 (±0.0)

#	Name	Isotope labeling	Type	Concentration
7	interleukin-13	[U-95% 15N]		1.0 mM
8	phosphate buffer			40 mM
9	NaN3			2 mM
10	NaCl			40 mM
11	H2O			90 %
12	D2O			10 %

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LACS Plot; CA

Referencing offset: -0.11 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.11 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: 0.01 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: -0.04 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

Calculated from 30 models in PDB: 1IK0, Strand ID: A Detail

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Release date

2002-05-08

Citation

Solution structure of human IL-13 and implication for receptor binding
Moy, F.J., Diblasio, E., Wilhelm, J., Powers, R.
J. Mol. Biol. (2001), 310, 219-230, PubMed 11419948 , DOI 10.1006/jmbi.2001.4764 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. human interleukin-13, : 1 : 5 : 7 : 18 entities Detail

Interaction partners 1. human interleukin-13, : 4 interactors Detail