BMRB Entry 25500

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR25500

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Backbone chemical shift assignments for the folded/unfolded drkN SH3 protein in the presence of DnaK chaperone at pH 7.2
Deposition date:
2015-02-23
Original release date:
2015-03-23
Authors:
Lee, Jung Ho; Zhang, Dongyu; Hughes, Christopher; Okuno, Yusuke; Sekhar, Ashok; Cavagnero, Silvia
Citation:

Citation: Lee, Jung Ho; Zhang, Dongyu; Hughes, Christopher; Okuno, Yusuke; Sekhar, Ashok; Cavagnero, Silvia. "Heterogeneous binding of the SH3 client protein to the DnaK molecular chaperone"  Proc. Natl. Acad. Sci. U. S. A. 112, 4206-4215 (2015).
PubMed: 26195753

Assembly members:

Assembly members:
drkN_SH3, polymer, 59 residues, Formula weight is not available
DnaK_Chaperone, polymer, 638 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-17b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
drkN_SH3: MEAIAKHDFSATADDELSFR KTQILKILNMEDDSNWYRAE LDGKEGLIPSNYIEMKNHD
DnaK_Chaperone: MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGTF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKDVLLLDVTPLSLG IETMGGVMTTLIAKNTTIPT KHSQVFSTAEDNQSAVTIHV LQGERKRAADNKSLGQFNLD GINPAPRGMPQIEVTFDIDA DGILHVSAKDKNSGKEQKIT IKASSGLNEDEIQKMVRDAE ANAEADRKFEELVQTRNQGD HLLHSTRKQVEEAGDKLPAD DKTAIESALTALETALKGED KAAIEAKMQELAQVSQKLME IAQQQHAQQQTAGADASANN AKDDDVVDAEFEEVKDKK

Data typeCount
13C chemical shifts300
15N chemical shifts117
1H chemical shifts117

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1drkN SH3, native1
2drkN SH3, unfolded1
3DnaK_Chaperone2

Entities:

Entity 1, drkN SH3, native 59 residues - Formula weight is not available

1   METGLUALAILEALALYSHISASPPHESER
2   ALATHRALAASPASPGLULEUSERPHEARG
3   LYSTHRGLNILELEULYSILELEUASNMET
4   GLUASPASPSERASNTRPTYRARGALAGLU
5   LEUASPGLYLYSGLUGLYLEUILEPROSER
6   ASNTYRILEGLUMETLYSASNHISASP

Entity 2, DnaK_Chaperone 638 residues - Formula weight is not available

1   METGLYLYSILEILEGLYILEASPLEUGLY
2   THRTHRASNSERCYSVALALAILEMETASP
3   GLYTHRTHRPROARGVALLEUGLUASNALA
4   GLUGLYASPARGTHRTHRPROSERILEILE
5   ALATYRTHRGLNASPGLYGLUTHRLEUVAL
6   GLYGLNPROALALYSARGGLNALAVALTHR
7   ASNPROGLNASNTHRLEUPHEALAILELYS
8   ARGLEUILEGLYARGARGPHEGLNASPGLU
9   GLUVALGLNARGASPVALSERILEMETPRO
10   PHELYSILEILEALAALAASPASNGLYASP
11   ALATRPVALGLUVALLYSGLYGLNLYSMET
12   ALAPROPROGLNILESERALAGLUVALLEU
13   LYSLYSMETLYSLYSTHRALAGLUASPTYR
14   LEUGLYGLUPROVALTHRGLUALAVALILE
15   THRVALPROALATYRPHEASNASPALAGLN
16   ARGGLNALATHRLYSASPALAGLYARGILE
17   ALAGLYLEUGLUVALLYSARGILEILEASN
18   GLUPROTHRALAALAALALEUALATYRGLY
19   LEUASPLYSGLYTHRGLYASNARGTHRILE
20   ALAVALTYRASPLEUGLYGLYGLYTHRPHE
21   ASPILESERILEILEGLUILEASPGLUVAL
22   ASPGLYGLULYSTHRPHEGLUVALLEUALA
23   THRASNGLYASPTHRHISLEUGLYGLYGLU
24   ASPPHEASPSERARGLEUILEASNTYRLEU
25   VALGLUGLUPHELYSLYSASPGLNGLYILE
26   ASPLEUARGASNASPPROLEUALAMETGLN
27   ARGLEULYSGLUALAALAGLULYSALALYS
28   ILEGLULEUSERSERALAGLNGLNTHRASP
29   VALASNLEUPROTYRILETHRALAASPALA
30   THRGLYPROLYSHISMETASNILELYSVAL
31   THRARGALALYSLEUGLUSERLEUVALGLU
32   ASPLEUVALASNARGSERILEGLUPROLEU
33   LYSVALALALEUGLNASPALAGLYLEUSER
34   VALSERASPILEASPASPVALILELEUVAL
35   GLYGLYGLNTHRARGMETPROMETVALGLN
36   LYSLYSVALALAGLUPHEPHEGLYLYSGLU
37   PROARGLYSASPVALASNPROASPGLUALA
38   VALALAILEGLYALAALAVALGLNGLYGLY
39   VALLEUTHRGLYASPVALLYSASPVALLEU
40   LEULEUASPVALTHRPROLEUSERLEUGLY
41   ILEGLUTHRMETGLYGLYVALMETTHRTHR
42   LEUILEALALYSASNTHRTHRILEPROTHR
43   LYSHISSERGLNVALPHESERTHRALAGLU
44   ASPASNGLNSERALAVALTHRILEHISVAL
45   LEUGLNGLYGLUARGLYSARGALAALAASP
46   ASNLYSSERLEUGLYGLNPHEASNLEUASP
47   GLYILEASNPROALAPROARGGLYMETPRO
48   GLNILEGLUVALTHRPHEASPILEASPALA
49   ASPGLYILELEUHISVALSERALALYSASP
50   LYSASNSERGLYLYSGLUGLNLYSILETHR
51   ILELYSALASERSERGLYLEUASNGLUASP
52   GLUILEGLNLYSMETVALARGASPALAGLU
53   ALAASNALAGLUALAASPARGLYSPHEGLU
54   GLULEUVALGLNTHRARGASNGLNGLYASP
55   HISLEULEUHISSERTHRARGLYSGLNVAL
56   GLUGLUALAGLYASPLYSLEUPROALAASP
57   ASPLYSTHRALAILEGLUSERALALEUTHR
58   ALALEUGLUTHRALALEULYSGLYGLUASP
59   LYSALAALAILEGLUALALYSMETGLNGLU
60   LEUALAGLNVALSERGLNLYSLEUMETGLU
61   ILEALAGLNGLNGLNHISALAGLNGLNGLN
62   THRALAGLYALAASPALASERALAASNASN
63   ALALYSASPASPASPVALVALASPALAGLU
64   PHEGLUGLUVALLYSASPLYSLYS

Samples:

sample_1: drkN SH3, [U-99% 13C; U-99% 15N], 0.3 mM; TRIS 50 mM; MgCl2 5 mM; KCl 50 mM; DTT 15 mM; DnaK 1.2 mM; ADP 5 mM; D2O 5%; H2O 95%

sample_2: drkN SH3, [U-99% 13C; U-99% 15N], 0.3 mM; TRIS 50 mM; MgCl2 5 mM; KCl 50 mM; DTT 15 mM; DnaK 1.2 mM; ADP 5 mM; D2O 5%; H2O 95%

sample_condition: pH: 7.2; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC 1sample_1isotropicsample_condition
3D CBCA(CO)NH 1sample_1isotropicsample_condition
3D HNCACB 1sample_1isotropicsample_condition
3D HNCO 1sample_1isotropicsample_condition
3D (HCA)CO(CA)NH 1sample_1isotropicsample_condition
2D 1H-15N HSQC 2sample_2isotropicsample_condition
3D CBCA(CO)NH 2sample_2isotropicsample_condition
3D HNCACB 2sample_2isotropicsample_condition
3D HNCO 2sample_2isotropicsample_condition
3D (HCA)CO(CA)NH 2sample_2isotropicsample_condition

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Agilent INOVA 600 MHz

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