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BMRB: 16317

2KLL

Solution structure of human interleukin-33

Authors

Lingel, A., Fairbrother, W.

Assembly

human interleukin-33

Entity

1. human interleukin-33 (polymer, Thiol state: all free), 161 monomers, 18138.11 Da Detail

GSSITGISPI TEYLASLSTY NDQSITFALE DESYEIYVED LKKDEKKDKV LLSYYESQHP SNESGDGVDG KMLMVTLSPT KDFWLHANNK EHSVELHKCE KPLPDQAFFV LHNMHSNCVS FECKTDPGVF IGVKDNHLAL IKVDSSENLC TENILFKLSE T

Formula weight

18138.11 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 86.1 %, Completeness (bb): 83.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.1 % (1610 of 1871)	90.4 % (874 of 967)	79.2 % (583 of 736)	91.1 % (153 of 168)
Backbone	83.5 % (797 of 954)	94.7 % (306 of 323)	71.4 % (340 of 476)	97.4 % (151 of 155)
Sidechain	89.8 % (962 of 1071)	88.2 % (568 of 644)	94.7 % (392 of 414)	15.4 % (2 of 13)
Aromatic	86.1 % (136 of 158)	92.4 % (73 of 79)	79.5 % (62 of 78)	100.0 % (1 of 1)
Methyl	97.6 % (164 of 168)	95.2 % (80 of 84)	100.0 % (84 of 84)

1. human interleukin-33

GSSITGISPI TEYLASLSTY NDQSITFALE DESYEIYVED LKKDEKKDKV LLSYYESQHP SNESGDGVDG KMLMVTLSPT KDFWLHANNK EHSVELHKCE KPLPDQAFFV LHNMHSNCVS FECKTDPGVF IGVKDNHLAL IKVDSSENLC TENILFKLSE T

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Interleukin-33	[U-100% 15N]	1 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	beta-mercaptoethanol	natural abundance	5 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
7	Interleukin-33	natural abundance	1 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	beta-mercaptoethanol	[U-100% 2H]	5 mM
11	D2O	natural abundance	100 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
12	Interleukin-33	[U-100% 13C; U-100% 15N]	1 mM
13	sodium phosphate	natural abundance	20 mM
14	sodium chloride	natural abundance	100 mM
15	beta-mercaptoethanol	natural abundance	5 mM
16	H2O	natural abundance	95 %
17	D2O	natural abundance	5 %

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 6.5

#	Name	Isotope labeling	Concentration
18	Interleukin-33	[U-100% 13C; U-100% 15N]	1 mM
19	sodium phosphate	natural abundance	20 mM
20	sodium chloride	natural abundance	100 mM
21	beta-mercaptoethanol	[U-100% 2H]	5 mM
22	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: 0.22 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.22 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2KLL, Strand ID: A Detail

Release date

2009-07-22

Citation

NMR assignments of the human cytokine interleukin-33
Lingel, A., Fairbrother, W.J.
Biomol. NMR Assign. (2009), 3, 223-225, PubMed 19888696 , DOI 10.1007/s12104-009-9180-6 , Abstract

Related entities 1. human interleukin-33, : 1 : 3 : 8 entities Detail

Interaction partners 1. human interleukin-33, : 4 interactors Detail

More details for 4 interactors identified by 4 citations