BMRB Entry 52969

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52969

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Title:
Cofactor-Free 4E3Q 0N4R Tau Fibrils
Deposition date:
2025-03-14
Original release date:
2026-02-03
Authors:
Dregni, Aurelio; Hong, Mei
Citation:

Citation: Dregni, Aurelio; Hong, Mei. "Impact of Lysine Acetylation Mutations on the Structure of Full-Length Tau Fibrils"  ACS Chem. Neurosci. 16, 2617-2628 (2025).
PubMed: 40599054

Assembly members:

Assembly members:
entity_1, polymer, 383 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MAEPRQEFEVMEDHAGTYGL GDRKDQGGYTMHQDQEGDTD AGLKAEEAGIGDTPSLEDEA AGHVTQARMVSKSKDGTGSD DKKAKGADGKTKIATPRGAA PPGQKGQANATRIPAKTPPA PKTPPSSGEPPKSGDRSGYS SPGSPGTPGSRSRTPSLPTP PTREPKKVAVVRTPPKSPSS AKSRLQTAPVPMPDLKNVKS KIGSTENLKHQPGGGKVQII NKKLDLSNVQSKCGSKDNIK HVPGGGSVQIVYQPVDLSKV TSQCGSLGNIHHKPGGGQVE VKSEKLDFKDRVQSKIGSLD NITHVPGGGNQKIETHKLTF RENAKAKTDHGAEIVYKEPV VEGDEEPRHLSNVSSTGSID MVDSPQLATLADEVSASLAK QGL

Data sets:
Data typeCount
13C chemical shifts330
15N chemical shifts86

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Tau 0N4R 4E3Q1

Entities:

Entity 1, Tau 0N4R 4E3Q 383 residues - Formula weight is not available

Human Tau 0N4R, K311Q, K321Q, K369Q, S396E, S400E, T403E, S404E. Numbering from 2N4R containing residues 45-102 is used.

1   METALAGLUPROARGGLNGLUPHEGLUVAL
2   METGLUASPHISALAGLYTHRTYRGLYLEU
3   GLYASPARGLYSASPGLNGLYGLYTYRTHR
4   METHISGLNASPGLNGLUGLYASPTHRASP
5   ALAGLYLEULYSALAGLUGLUALAGLYILE
6   GLYASPTHRPROSERLEUGLUASPGLUALA
7   ALAGLYHISVALTHRGLNALAARGMETVAL
8   SERLYSSERLYSASPGLYTHRGLYSERASP
9   ASPLYSLYSALALYSGLYALAASPGLYLYS
10   THRLYSILEALATHRPROARGGLYALAALA
11   PROPROGLYGLNLYSGLYGLNALAASNALA
12   THRARGILEPROALALYSTHRPROPROALA
13   PROLYSTHRPROPROSERSERGLYGLUPRO
14   PROLYSSERGLYASPARGSERGLYTYRSER
15   SERPROGLYSERPROGLYTHRPROGLYSER
16   ARGSERARGTHRPROSERLEUPROTHRPRO
17   PROTHRARGGLUPROLYSLYSVALALAVAL
18   VALARGTHRPROPROLYSSERPROSERSER
19   ALALYSSERARGLEUGLNTHRALAPROVAL
20   PROMETPROASPLEULYSASNVALLYSSER
21   LYSILEGLYSERTHRGLUASNLEULYSHIS
22   GLNPROGLYGLYGLYLYSVALGLNILEILE
23   ASNLYSLYSLEUASPLEUSERASNVALGLN
24   SERLYSCYSGLYSERLYSASPASNILELYS
25   HISVALPROGLYGLYGLYSERVALGLNILE
26   VALTYRGLNPROVALASPLEUSERLYSVAL
27   THRSERGLNCYSGLYSERLEUGLYASNILE
28   HISHISLYSPROGLYGLYGLYGLNVALGLU
29   VALLYSSERGLULYSLEUASPPHELYSASP
30   ARGVALGLNSERLYSILEGLYSERLEUASP
31   ASNILETHRHISVALPROGLYGLYGLYASN
32   GLNLYSILEGLUTHRHISLYSLEUTHRPHE
33   ARGGLUASNALALYSALALYSTHRASPHIS
34   GLYALAGLUILEVALTYRLYSGLUPROVAL
35   VALGLUGLYASPGLUGLUPROARGHISLEU
36   SERASNVALSERSERTHRGLYSERILEASP
37   METVALASPSERPROGLNLEUALATHRLEU
38   ALAASPGLUVALSERALASERLEUALALYS
39   GLNGLYLEU

Samples:

sample_1: Tau 0N4R 4E3Q, [U-99% 13C; U-99% 15N], 1.6 mg/mL; DTT 20 mM; sodium chloride 300 mM; potassium phosphate 50 mM; Roche Protease Inhibitor Cocktail 5 tablet/100mL

sample_conditions_1: ionic strength: 0.35 M; pH: 6.8; pressure: 1 atm; temperature: 280 K

Experiments:

NameSampleSample stateSample conditions
3D NCOCXsample_1isotropicsample_conditions_1
3D NCACXsample_1isotropicsample_conditions_1
3D CONCAsample_1isotropicsample_conditions_1
3D CONCACBsample_1isotropicsample_conditions_1

Software:

TOPSPIN v4.3 - collection, processing

NMRFAM-SPARKY v1.414 - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz