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 50785

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50785

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Title: In Vitro Fibrillized 0N3R Tau   PubMed: 33983722

Deposition date: 2021-02-21 Original release date: 2021-05-18

Authors: Dregni, Aurelio; Wang, Harrison; Hong, Mei; Duan, Pu

Citation: Dregni, Aurelio; Wang, Harrison; Wu, Haifan; Duan, Pu; Jin, Jia; DeGrado, William; Hong, Mei. "Inclusion of the C-Terminal Domain in the beta-Sheet Core of Heparin-Fibrillized Three-Repeat Tau Protein Revealed by Solid-State Nuclear Magnetic Resonance Spectroscopy"  J. Am. Chem. Soc. 143, 7839-7851 (2021).

Assembly members:
entity_1, polymer, 352 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   Vector: BL21(DE3)

Entity Sequences (FASTA):
entity_1: MAEPRQEFEVMEDHAGTYGL GDRKDQGGYTMHQDQEGDTD AGLKAEEAGIGDTPSLEDEA AGHVTQARMVSKSKDGTGSD DKKAKGADGKTKIATPRGAA PPGQKGQANATRIPAKTPPA PKTPPSSGEPPKSGDRSGYS SPGSPGTPGSRSRTPSLPTP PTREPKKVAVVRTPPKSPSS AKSRLQTAPVPMPDLKNVKS KIGSTENLKHQPGGGKVQIV YKPVDLSKVTSKCGSLGNIH HKPGGGQVEVKSEKLDFKDR VQSKIGSLDNITHVPGGGNK KIETHKLTFRENAKAKTDHG AEIVYKSPVVSGDTSPRHLS NVSSTGSIDMVDSPQLATLA DEVSASLAKQGL

Data sets:
Data typeCount
13C chemical shifts399
15N chemical shifts108

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
10N3R Tau1

Entities:

Entity 1, 0N3R Tau 352 residues - Formula weight is not available

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   GLNPROGLYGLYGLYLYSVALGLNILEVAL
23   TYRLYSPROVALASPLEUSERLYSVALTHR
24   SERLYSCYSGLYSERLEUGLYASNILEHIS
25   HISLYSPROGLYGLYGLYGLNVALGLUVAL
26   LYSSERGLULYSLEUASPPHELYSASPARG
27   VALGLNSERLYSILEGLYSERLEUASPASN
28   ILETHRHISVALPROGLYGLYGLYASNLYS
29   LYSILEGLUTHRHISLYSLEUTHRPHEARG
30   GLUASNALALYSALALYSTHRASPHISGLY
31   ALAGLUILEVALTYRLYSSERPROVALVAL
32   SERGLYASPTHRSERPROARGHISLEUSER
33   ASNVALSERSERTHRGLYSERILEASPMET
34   VALASPSERPROGLNLEUALATHRLEUALA
35   ASPGLUVALSERALASERLEUALALYSGLN
36   GLYLEU

Samples:

sample_1: in vitro fibrillized 0N3R tau, [U-13C; U-15N], 18 mg

sample_conditions_1: ionic strength: 10 mM; pH: 7.4; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D 13C-detected CORDsample_1anisotropicsample_conditions_1
2D 13C-detected NCAsample_1anisotropicsample_conditions_1
3D NCACXsample_1anisotropicsample_conditions_1
3D NCOCXsample_1isotropicsample_conditions_1
3D CONCAsample_1isotropicsample_conditions_1
3D CAN(CO)CAsample_1isotropicsample_conditions_1
3D 13C-detected CORDsample_1isotropicsample_conditions_1

Software:

NMRFAM-SPARKY - chemical shift assignment

TOPSPIN - collection

NMR spectrometers:

  • Bruker AVANCE II 800 MHz