BMRB Entry 17748

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17748

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Title:
Solution NMR Insights into Docking Interactions Involving Inactive ERK2
Deposition date:
2011-06-29
Original release date:
2011-07-18
Authors:
Piserchio, Andrea; Ghose, Ranajeet
Citation:

Citation: Piserchio, Andrea; Warthaka, Mangalika; Devkota, Ashwini; Kaoud, Tamer; Lee, Sunbae; Abramczyk, Olga; Ren, Pengyu; Dalby, Kevin; Ghose, Ranajeet. "Solution NMR Insights into Docking Interactions Involving Inactive ERK2."  Biochemistry 50, 3660-3672 (2011).
PubMed: 21449613

Assembly members:

Assembly members:
ERK2, polymer, 361 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ERK2: GSHMAAAAAAGPEMVRGQVF DVGPRYTNLSYIGEGAYGMV CSAYDNLNKVRVAIKKISPF EHQTYCQRTLREIKILLRFR HENIIGINDIIRAPTIEQMK DVYIVQDLMETDLYKLLKTQ HLSNDHICYFLYQILRGLKY IHSANVLHRDLKPSNLLLNT TCDLKICDFGLARVADPDHD HTGFLTEYVATRWYRAPEIM LNSKGYTKSIDIWSVGCILA EMLSNRPIFPGKHYLDQLNH ILGILGSPSQEDLNCIINLK ARNYLLSLPHKNKVPWNRLF PNADSKALDLLDKMLTFNPH KRIEVEQALAHPYLEQYYDP SDEPIAEAPFKFDMELDDLP KEKLKELIFEETARFQPGYR S

Data sets:
Data typeCount
13C chemical shifts569
15N chemical shifts186
1H chemical shifts186

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1ERK21

Entities:

Entity 1, ERK2 361 residues - Formula weight is not available

1   GLYSERHISMETALAALAALAALAALAALA
2   GLYPROGLUMETVALARGGLYGLNVALPHE
3   ASPVALGLYPROARGTYRTHRASNLEUSER
4   TYRILEGLYGLUGLYALATYRGLYMETVAL
5   CYSSERALATYRASPASNLEUASNLYSVAL
6   ARGVALALAILELYSLYSILESERPROPHE
7   GLUHISGLNTHRTYRCYSGLNARGTHRLEU
8   ARGGLUILELYSILELEULEUARGPHEARG
9   HISGLUASNILEILEGLYILEASNASPILE
10   ILEARGALAPROTHRILEGLUGLNMETLYS
11   ASPVALTYRILEVALGLNASPLEUMETGLU
12   THRASPLEUTYRLYSLEULEULYSTHRGLN
13   HISLEUSERASNASPHISILECYSTYRPHE
14   LEUTYRGLNILELEUARGGLYLEULYSTYR
15   ILEHISSERALAASNVALLEUHISARGASP
16   LEULYSPROSERASNLEULEULEUASNTHR
17   THRCYSASPLEULYSILECYSASPPHEGLY
18   LEUALAARGVALALAASPPROASPHISASP
19   HISTHRGLYPHELEUTHRGLUTYRVALALA
20   THRARGTRPTYRARGALAPROGLUILEMET
21   LEUASNSERLYSGLYTYRTHRLYSSERILE
22   ASPILETRPSERVALGLYCYSILELEUALA
23   GLUMETLEUSERASNARGPROILEPHEPRO
24   GLYLYSHISTYRLEUASPGLNLEUASNHIS
25   ILELEUGLYILELEUGLYSERPROSERGLN
26   GLUASPLEUASNCYSILEILEASNLEULYS
27   ALAARGASNTYRLEULEUSERLEUPROHIS
28   LYSASNLYSVALPROTRPASNARGLEUPHE
29   PROASNALAASPSERLYSALALEUASPLEU
30   LEUASPLYSMETLEUTHRPHEASNPROHIS
31   LYSARGILEGLUVALGLUGLNALALEUALA
32   HISPROTYRLEUGLUGLNTYRTYRASPPRO
33   SERASPGLUPROILEALAGLUALAPROPHE
34   LYSPHEASPMETGLULEUASPASPLEUPRO
35   LYSGLULYSLEULYSGLULEUILEPHEGLU
36   GLUTHRALAARGPHEGLNPROGLYTYRARG
37   SER

Samples:

sample_1: ERK2, [U-13C; U-15N; U-2H], 0.2 mM; sodium phosphate 50 mM; sodium chloride 150 mM; DTT 2 mM; EDTA 0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 200 mM; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

SPARKY v3.115, Goddard - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAA01733 BAA22620 BAC29053 BAC33251 BAC40044
EMBL CAA41548 CAA77752 CAA77753 CAA78467 CAI29602
GB AAA41124 AAA58459 AAH17832 AAH58258 AAH99905
PRF 1813206A 1813206B
REF NP_001033752 NP_001104270 NP_001185851 NP_001297736 NP_001301131
SP P28482 P46196 P63085 P63086
TPG DAA20381
AlphaFold P28482 P46196 P63085 P63086

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks