BMRB Entry 52723

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52723

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Title:
The methyl assignment of AMPPNP-bound state of E. coli Hsp90
Deposition date:
2024-11-26
Original release date:
2025-11-19
Authors:
Qu, Xiaozhan
Citation:

Citation: Qu, Xiaozhan; Wang, Simin; Zhao, Shuo; Wan, Chanjuan; Xu, Weiya; Huang, Chengdong. "The dynamic triage interplay of Hsp90 with its chaperone cycle and client binding"  Nat. Commun. 15, 10661-10661 (2024).
PubMed: 39663352

Assembly members:

Assembly members:
entity_1, polymer, 624 residues, Formula weight is not available
entity_ANP, non-polymer, 506.196 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET-28a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MKGQETRGFQSEVKQLLHLM IHSLYSNKEIFLRELISNAS DAADKLRFRALSNPDLYEGD GELRVRVSFDKDKRTLTISD NGVGMTRDEVIDHLGTIAKS GTKSFLESLGSDQAKDSQLI GQFGVGFYSAFIVADKVTVR TRAAGEKPENGVFWESAGEG EYTVADITKEDRGTEITLHL REGEDEFLDDWRVRSIISKY SDHIALPVEIEKREEKDGET VISWEKINKAQALWTRNKSE ITDEEYKEFYKHIAHDFNDP LTWSHNRVEGKQEYTSLLYI PSQAPWDMWNRDHKHGLKLY VQRVFIMDDAEQFMPNYLRF VRGLIDSSDLPLNVSREILQ DSTVTRNLRNALTKRVLQML EKLAKDDAEKYQTFWQQFGL VLKEGPAEDFANQEAIAKLL RFASTHTDSSAQTVSLEDYV SRMKEGQEKIYYITADSYAA AKSSPHLELLRKKGIEVLLL SDRIDEWMMNYLTEFDGKPF QSVSKVDESLEKLADEVDES AKEAEKALTPFIDRVKALLG ERVKDVRLTHRLTDTPAIVS TDADEMSTQMAKLFAAAGQK VPEVKYIFELNPDHVLVKRA ADTEDEAKFSEWVELLLDQA LLAERGTLEDPNLFIRRMNQ LLVS

Data typeCount
13C chemical shifts278
1H chemical shifts835

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1The E coli Hsp901
2AMPPNP2

Entities:

Entity 1, The E coli Hsp90 624 residues - Formula weight is not available

1   METLYSGLYGLNGLUTHRARGGLYPHEGLN
2   SERGLUVALLYSGLNLEULEUHISLEUMET
3   ILEHISSERLEUTYRSERASNLYSGLUILE
4   PHELEUARGGLULEUILESERASNALASER
5   ASPALAALAASPLYSLEUARGPHEARGALA
6   LEUSERASNPROASPLEUTYRGLUGLYASP
7   GLYGLULEUARGVALARGVALSERPHEASP
8   LYSASPLYSARGTHRLEUTHRILESERASP
9   ASNGLYVALGLYMETTHRARGASPGLUVAL
10   ILEASPHISLEUGLYTHRILEALALYSSER
11   GLYTHRLYSSERPHELEUGLUSERLEUGLY
12   SERASPGLNALALYSASPSERGLNLEUILE
13   GLYGLNPHEGLYVALGLYPHETYRSERALA
14   PHEILEVALALAASPLYSVALTHRVALARG
15   THRARGALAALAGLYGLULYSPROGLUASN
16   GLYVALPHETRPGLUSERALAGLYGLUGLY
17   GLUTYRTHRVALALAASPILETHRLYSGLU
18   ASPARGGLYTHRGLUILETHRLEUHISLEU
19   ARGGLUGLYGLUASPGLUPHELEUASPASP
20   TRPARGVALARGSERILEILESERLYSTYR
21   SERASPHISILEALALEUPROVALGLUILE
22   GLULYSARGGLUGLULYSASPGLYGLUTHR
23   VALILESERTRPGLULYSILEASNLYSALA
24   GLNALALEUTRPTHRARGASNLYSSERGLU
25   ILETHRASPGLUGLUTYRLYSGLUPHETYR
26   LYSHISILEALAHISASPPHEASNASPPRO
27   LEUTHRTRPSERHISASNARGVALGLUGLY
28   LYSGLNGLUTYRTHRSERLEULEUTYRILE
29   PROSERGLNALAPROTRPASPMETTRPASN
30   ARGASPHISLYSHISGLYLEULYSLEUTYR
31   VALGLNARGVALPHEILEMETASPASPALA
32   GLUGLNPHEMETPROASNTYRLEUARGPHE
33   VALARGGLYLEUILEASPSERSERASPLEU
34   PROLEUASNVALSERARGGLUILELEUGLN
35   ASPSERTHRVALTHRARGASNLEUARGASN
36   ALALEUTHRLYSARGVALLEUGLNMETLEU
37   GLULYSLEUALALYSASPASPALAGLULYS
38   TYRGLNTHRPHETRPGLNGLNPHEGLYLEU
39   VALLEULYSGLUGLYPROALAGLUASPPHE
40   ALAASNGLNGLUALAILEALALYSLEULEU
41   ARGPHEALASERTHRHISTHRASPSERSER
42   ALAGLNTHRVALSERLEUGLUASPTYRVAL
43   SERARGMETLYSGLUGLYGLNGLULYSILE
44   TYRTYRILETHRALAASPSERTYRALAALA
45   ALALYSSERSERPROHISLEUGLULEULEU
46   ARGLYSLYSGLYILEGLUVALLEULEULEU
47   SERASPARGILEASPGLUTRPMETMETASN
48   TYRLEUTHRGLUPHEASPGLYLYSPROPHE
49   GLNSERVALSERLYSVALASPGLUSERLEU
50   GLULYSLEUALAASPGLUVALASPGLUSER
51   ALALYSGLUALAGLULYSALALEUTHRPRO
52   PHEILEASPARGVALLYSALALEULEUGLY
53   GLUARGVALLYSASPVALARGLEUTHRHIS
54   ARGLEUTHRASPTHRPROALAILEVALSER
55   THRASPALAASPGLUMETSERTHRGLNMET
56   ALALYSLEUPHEALAALAALAGLYGLNLYS
57   VALPROGLUVALLYSTYRILEPHEGLULEU
58   ASNPROASPHISVALLEUVALLYSARGALA
59   ALAASPTHRGLUASPGLUALALYSPHESER
60   GLUTRPVALGLULEULEULEUASPGLNALA
61   LEULEUALAGLUARGGLYTHRLEUGLUASP
62   PROASNLEUPHEILEARGARGMETASNGLN
63   LEULEUVALSER

Entity 2, AMPPNP - C10 H17 N6 O12 P3 - 506.196 Da.

1   ANP

Samples:

sample_1: The AMPPNP-bound state of E coli Hsp90, [U-2H, Ala- 13CH3; Met- 13CH3; Ile-d1- 13CH3; Leu, Val- 13CH3/ 13CH3; Thr- 13CH3], 500 uM

sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1

Software:

SPARKY - collection

NMRViewJ - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 850 MHz