BMRB Entry 52958

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52958

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

Title:
DnaKADP
Deposition date:
2025-03-09
Original release date:
2025-10-20
Authors:
Jiang, Yajun; Ibrahim, Ziad; Clay, Mary; Xia, Youlin; Kalodimos, Babis
Citation:

Citation: Jiang, Yajun; Ibrahim, Ziad; Xia, Youlin; Clay, Mary; Myasnikov, Alexander; Immadisetty, Kalyan; Xia, Zhilian; Tang, Liang; Rossi, Paolo; Ganguly, Pritha; Liu, Jiangshu; Miller, Darcie; Che, Meixia; Palacios, Santiago; Kramer, Gunter; Bukau, Bernd; Kalodimos, Charalampos. "Mechanisms of assembly and function of the Hsp70-Hsp40 chaperone machinery"  Mol. Cell ., .-. (2025).
PubMed: 41092901

Assembly members:

Assembly members:
entity_1, polymer, 615 residues, Formula weight is not available
entity_ADP, non-polymer, 427.201 Da.

Natural source:

Natural source:   Common Name: Thermus thermophilus   Taxonomy ID: 274   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Thermus thermophilus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Thermus thermophilus   Vector: pCoofy

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAKAVGIDLGTTNSVIAVLE GGKPVVLENAEGERVTPSVV AFRDGETLVGRMAKRQAVLN PEGTIFEIKRFIGRRFEEVQ EEAKRVPYKVVPGPDGGVRV EVKGKLYTPEEISAMILRKL VEDASKKLGEKITKAVITVP AYFNNAQREATANAGRIAGL EVLRIINEPTAAALAYGLDK KGNETVLVFDLGGGTFDVTI LEIGEGVFEVKATSGDTHLG GSDMDHAIVNWLAEEFKKEH GVDLKADRQALQRLIEAAEK AKIELSSTLETTISLPFIAL DPASKTPLHLEKKLTRAKFE ELIQPLLKRLRGPVEQALKD AGLTPAQIDEVILVGGATRV PAVQQVVRELLGKEPNRSVN PDEVVAMGAAIQAGVLMGEV RDVVLLDVTPLSLGVETKGG VMTVLIPRNTTIPTRKCEIF TTAEHNQTAVEIHVLQGERP MAQDNKSLGRFRLEGIPPMP AGVPQIEVCFDIDANGILHV TAKERSTGREASITIQNTTT LSEEEIQRIIEEAKRHAEED RRRREHAELKNALDSARVQA ERVLQERQGAPEARARLEAA IGKAKELVERDAPDPELKAA TEELLKAVEEYEKGAQAASG KGPDDVIDADYKPAD

Data sets:
Data typeCount
13C chemical shifts334
1H chemical shifts1002

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DnaK1
2ADP2

Entities:

Entity 1, DnaK 615 residues - Formula weight is not available

1   METALALYSALAVALGLYILEASPLEUGLY
2   THRTHRASNSERVALILEALAVALLEUGLU
3   GLYGLYLYSPROVALVALLEUGLUASNALA
4   GLUGLYGLUARGVALTHRPROSERVALVAL
5   ALAPHEARGASPGLYGLUTHRLEUVALGLY
6   ARGMETALALYSARGGLNALAVALLEUASN
7   PROGLUGLYTHRILEPHEGLUILELYSARG
8   PHEILEGLYARGARGPHEGLUGLUVALGLN
9   GLUGLUALALYSARGVALPROTYRLYSVAL
10   VALPROGLYPROASPGLYGLYVALARGVAL
11   GLUVALLYSGLYLYSLEUTYRTHRPROGLU
12   GLUILESERALAMETILELEUARGLYSLEU
13   VALGLUASPALASERLYSLYSLEUGLYGLU
14   LYSILETHRLYSALAVALILETHRVALPRO
15   ALATYRPHEASNASNALAGLNARGGLUALA
16   THRALAASNALAGLYARGILEALAGLYLEU
17   GLUVALLEUARGILEILEASNGLUPROTHR
18   ALAALAALALEUALATYRGLYLEUASPLYS
19   LYSGLYASNGLUTHRVALLEUVALPHEASP
20   LEUGLYGLYGLYTHRPHEASPVALTHRILE
21   LEUGLUILEGLYGLUGLYVALPHEGLUVAL
22   LYSALATHRSERGLYASPTHRHISLEUGLY
23   GLYSERASPMETASPHISALAILEVALASN
24   TRPLEUALAGLUGLUPHELYSLYSGLUHIS
25   GLYVALASPLEULYSALAASPARGGLNALA
26   LEUGLNARGLEUILEGLUALAALAGLULYS
27   ALALYSILEGLULEUSERSERTHRLEUGLU
28   THRTHRILESERLEUPROPHEILEALALEU
29   ASPPROALASERLYSTHRPROLEUHISLEU
30   GLULYSLYSLEUTHRARGALALYSPHEGLU
31   GLULEUILEGLNPROLEULEULYSARGLEU
32   ARGGLYPROVALGLUGLNALALEULYSASP
33   ALAGLYLEUTHRPROALAGLNILEASPGLU
34   VALILELEUVALGLYGLYALATHRARGVAL
35   PROALAVALGLNGLNVALVALARGGLULEU
36   LEUGLYLYSGLUPROASNARGSERVALASN
37   PROASPGLUVALVALALAMETGLYALAALA
38   ILEGLNALAGLYVALLEUMETGLYGLUVAL
39   ARGASPVALVALLEULEUASPVALTHRPRO
40   LEUSERLEUGLYVALGLUTHRLYSGLYGLY
41   VALMETTHRVALLEUILEPROARGASNTHR
42   THRILEPROTHRARGLYSCYSGLUILEPHE
43   THRTHRALAGLUHISASNGLNTHRALAVAL
44   GLUILEHISVALLEUGLNGLYGLUARGPRO
45   METALAGLNASPASNLYSSERLEUGLYARG
46   PHEARGLEUGLUGLYILEPROPROMETPRO
47   ALAGLYVALPROGLNILEGLUVALCYSPHE
48   ASPILEASPALAASNGLYILELEUHISVAL
49   THRALALYSGLUARGSERTHRGLYARGGLU
50   ALASERILETHRILEGLNASNTHRTHRTHR
51   LEUSERGLUGLUGLUILEGLNARGILEILE
52   GLUGLUALALYSARGHISALAGLUGLUASP
53   ARGARGARGARGGLUHISALAGLULEULYS
54   ASNALALEUASPSERALAARGVALGLNALA
55   GLUARGVALLEUGLNGLUARGGLNGLYALA
56   PROGLUALAARGALAARGLEUGLUALAALA
57   ILEGLYLYSALALYSGLULEUVALGLUARG
58   ASPALAPROASPPROGLULEULYSALAALA
59   THRGLUGLULEULEULYSALAVALGLUGLU
60   TYRGLULYSGLYALAGLNALAALASERGLY
61   LYSGLYPROASPASPVALILEASPALAASP
62   TYRLYSPROALAASP

Entity 2, ADP - C10 H15 N5 O10 P2 - 427.201 Da.

1   ADP

Samples:

sample_1: DnaK, [U-15N; U-2H; 99% 13CH3-Ile,Leu, Val, Met, Ala, Thr], 250 uM; ADP 500 uM; H2O 90%; D2O 10%; potassium phosphate 25 mM; sodium chloride 75 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 315 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz