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BMRB: 26780

6HPI

Chemical Shift Assignments for Interleukin-36alpha

Authors

Ohlenschlaeger, O., Goradia, N.

Assembly

IL36A

Entity

1. IL36A (polymer, Thiol state: all free), 161 monomers, 17965.48 Da Detail

GSHMEKALKI DTPQQGSIQD INHRVWVLQD QTLIAVPRKD RMSPVTIALI SCRHVETLEK DRGNPIYLGL NGLNLCLMCA KVGDQPTLQL KEKDIMDLYN QPEPVKSFLF YHSQSGRNST FESVAFPGWF IAVSSEGGCP LILTQELGKA NTTDFGLTML F

Formula weight

17965.48 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 87.9 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.9 % (1663 of 1891)	87.0 % (856 of 984)	89.0 % (655 of 736)	88.9 % (152 of 171)
Backbone	96.8 % (918 of 948)	97.8 % (318 of 325)	96.0 % (452 of 471)	97.4 % (148 of 152)
Sidechain	81.7 % (892 of 1092)	81.6 % (538 of 659)	84.5 % (350 of 414)	21.1 % (4 of 19)
Aromatic	10.4 % (14 of 134)	13.4 % (9 of 67)	6.2 % (4 of 65)	50.0 % (1 of 2)
Methyl	100.0 % (186 of 186)	100.0 % (93 of 93)	100.0 % (93 of 93)

1. Interleukin-36alpha

GSHMEKALKI DTPQQGSIQD INHRVWVLQD QTLIAVPRKD RMSPVTIALI SCRHVETLEK DRGNPIYLGL NGLNLCLMCA KVGDQPTLQL KEKDIMDLYN QPEPVKSFLF YHSQSGRNST FESVAFPGWF IAVSSEGGCP LILTQELGKA NTTDFGLTML F

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	Interleukin-36alpha	[U-100% 13C; U-100% 15N]	1.3 mM
2	sodium phosphate	natural abundance	20 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.9

#	Name	Isotope labeling	Concentration
5	Interleukin-36alpha	[U-100% 15N]	1.3 mM
6	sodium phosphate	natural abundance	20 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: 0.21 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.21 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.66 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6HPI, Strand ID: A Detail

Release date

2016-04-17

Citation

(1)H, (13)C, and (15)N resonance assignments for the pro-inflammatory cytokine interleukin-36α
Goradia, N., Wissbrock, A., Wiedemann, C., Bordusa, F., Ramachandran, R., Imhof, D., Ohlenschlaeger, O.
Biomol. NMR Assign. (2016), 10, 329-333, PubMed 27351892 , DOI 10.1007/s12104-016-9694-7 , Abstract

Related entities 1. IL36A, : 1 : 2 : 49 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC