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BMRB: 17748

4QYY

Solution NMR Insights into Docking Interactions Involving Inactive ERK2

Authors

Piserchio, A., Ghose, R.

Assembly

ERK2

Entity

1. ERK2 (polymer, Thiol state: all free), 361 monomers, 41556.38 Da Detail

GSHMAAAAAA GPEMVRGQVF DVGPRYTNLS YIGEGAYGMV CSAYDNLNKV RVAIKKISPF EHQTYCQRTL REIKILLRFR HENIIGINDI IRAPTIEQMK DVYIVQDLME TDLYKLLKTQ HLSNDHICYF LYQILRGLKY IHSANVLHRD LKPSNLLLNT TCDLKICDFG LARVADPDHD HTGFLTEYVA TRWYRAPEIM LNSKGYTKSI DIWSVGCILA EMLSNRPIFP GKHYLDQLNH ILGILGSPSQ EDLNCIINLK ARNYLLSLPH KNKVPWNRLF PNADSKALDL LDKMLTFNPH KRIEVEQALA HPYLEQYYDP SDEPIAEAPF KFDMELDDLP KEKLKELIFE ETARFQPGYR S

Formula weight

41556.38 Da

Source organism

Rattus norvegicus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 67.3 %, Completeness: 28.7 %, Completeness (bb): 49.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	28.7 % (1250 of 4349)	16.7 % (379 of 2268)	39.3 % (670 of 1706)	53.6 % (201 of 375)
Backbone	49.9 % (1061 of 2126)	33.9 % (244 of 719)	58.0 % (618 of 1066)	58.4 % (199 of 341)
Sidechain	14.5 % (373 of 2567)	8.7 % (135 of 1549)	24.0 % (236 of 984)	5.9 % (2 of 34)
Aromatic	3.2 % (12 of 374)	3.7 % (7 of 187)	2.7 % (5 of 184)	0.0 % (0 of 3)
Methyl	13.8 % (58 of 420)	11.9 % (25 of 210)	15.7 % (33 of 210)

1. ERK2

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details pH=6.8

#	Name	Isotope labeling	Concentration
1	ERK2	[U-13C; U-15N; U-2H]	0.2 mM
2	sodium phosphate	natural abundance	50 mM
3	sodium chloride	natural abundance	150 mM
4	DTT	natural abundance	2 mM
5	EDTA	natural abundance	0.5 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: 0.5 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.5 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.18 ppm, Outliers: 4 Detail

Release date

2011-07-17

Citation

Solution NMR insights into docking interactions involving inactive ERK2
Piserchio, A., Warthaka, M., Devkota, A.K., Kaoud, T.S., Lee, S., Abramczyk, O., Ren, P., Dalby, K.N., Ghose, R.
Biochemistry (2011), 50, 3660-3672, PubMed 21449613 , DOI 10.1021/bi2000559 , Abstract

Related entities 1. ERK2, : 1 : 45 : 253 entities Detail

Interaction partners 1. ERK2, : 15 interactors Detail

More details for 15 interactors identified by 13 citations

Experiments performed 6 experiments Detail

1 2D 1H-15N HSQC