BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 27392

Title: E.Coli DnaK Nucleotide Binding Domain   PubMed: 19439666

Deposition date: 2018-01-29 Original release date: 2018-02-02

Authors: Zuiderweg, Erik; Bertelsen, Eric

Citation: Bertelsen, Eric; Chang, Lyra; Gestwicki, Jason; Zuiderweg, Erik. "Solution conformation of wild-type E. coli Hsp70 (DnaK) chaperone complexed with ADP and substrate"  Proc. Natl. Acad. Sci. U. S. A. 106, 8471-8476 (2009).

Assembly members:
Dnak1-388, polymer, 388 residues, Formula weight is not available

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
Dnak1-388: MGKIIGIDLGTTNSCVAIMD GTTPRVLENAEGDRTTPSII AYTQDGETLVGQPAKRQAVT NPQNTLFAIKRLIGRRFQDE EVQRDVSIMPFKIIAADNGD AWVEVKGQKMAPPQISAEVL KKMKKTAEDYLGEPVTEAVI TVPAYFNDAQRQATKDAGRI AGLEVKRIINEPTAAALAYG LDKGTGNRTIAVYDLGGGTF DISIIEIDEVDGEKTFEVLA TNGDTHLGGEDFDSRLINYL VEEFKKDQGIDLRNDPLAMQ RLKEAAEKAKIELSSAQQTD VNLPYITADATGPKHMNIKV TRAKLESLVEDLVNRSIEPL KVALQDAGLSVSDIDDVILV GGQTRMPMVQKKVAEFFGKE PRKDVNPDEAVAIGAAVQGG VLTGDVKD

Data sets:
Data typeCount
13C chemical shifts943
15N chemical shifts309
1H chemical shifts309

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DnaK1

Entities:

Entity 1, DnaK 388 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   VALLEUTHRGLYASPVALLYSASP

Samples:

sample_1: Dnak1-388, [U-100% 13C; U-100% 15N; U-100% 2H], 0.15 – 0.25 mM; TrisHCl 25 mM; KCl 10 mM; MgCl2 5 mM; DTT 10 mM; ADP 5 mM; K2HPO4 10 mM; NaN3 0.2%

sample_conditions_1: ionic strength: 0.05 M; pH: 7.2; pressure: 1 atm; temperature: 300 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOTROSYsample_1isotropicsample_conditions_1
3D HNCATROSYsample_1isotropicsample_conditions_1
3D HNCACBTROSYsample_1isotropicsample_conditions_1
3D HN(CO)CATROSYsample_1isotropicsample_conditions_1
3D HN(COCA)CBTROSYsample_1isotropicsample_conditions_1
3D HN(CA)COTROSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESY TROSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQC TROSYsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Zhengrong and Bax - processing

NMR spectrometers:

  • Varian INOVA 800 MHz

Related Database Links:

UNP P0A6Y8

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts