BMRB Entry 26751

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26751

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Title:
Backbone NMR assignments of the 2B4 T-cell receptor.
Deposition date:
2016-03-02
Original release date:
2016-04-07
Authors:
Natarajan, Aswin; Nadarajah, Vidushan; Felsovalyi, Klara; Wang, Wenjuan; Jeyachandran, Vivian; Wasson, Riley; Cardozo, Timothy; Bracken, Clay; Krogsgaard, Michelle
Citation:

Citation: Natarajan, Aswin; Nadarajah, Vidushan; Felsovalyi, Klara; Wang, Wenjuan; Jeyachandran, Vivian; Wasson, Riley; Cardozo, Timothy; Bracken, Clay; Krogsgaard, Michelle. "Structural Model of the Extracellular Assembly of the TCR-CD3 Complex"  Cell Rep. 14, 2833-2845 (2016).
PubMed: 26997265

Assembly members:

Assembly members:
2B4alpha, polymer, 207 residues, 22790 Da.
2B4beta, polymer, 243 residues, 27745 Da.

Natural source:

Natural source:   Common Name: house mouse   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
2B4alpha: MRGDQVEQSPSALSLHEGTG SALRCNFTTTMRAVQWFQQN SRGSLINLFYLASGTKENGR LKSTFNSKESYSTLHIRDAQ LEDSGTYFCAALRATGGNNK LTFGQGTVLSVIPDIQNPDP AVYQLRDSKSSDKSVCLFTD FDSQTNVSQSKDSDVYITDK CVLDMRSMDFKSNSAVAWSN KSDFACANAFNNSIIPEDTF FPSPESS
2B4beta: MKVIQTPRYLVKGQGQKAKM RCIPEKGHPVVFWYQQNKNN EFKFLINFQNQEVLQQIDMT EKRFSAECPSNSPCSLEIQS SEAGDSALYLCASSLNWSQD TQYFGPGTRLLVLEDLKNVF PPEVAVFEPSEAEISHTQKA TLVCLATGFYPDHVELSWWV NGKEVHSGVCTDPQPLKEQP ALNDSRYALSSRLRVSATFW QNPRNHFRCQVQFYGLSEND EWTQDRAKPVTQIVSAEAWG RAD

Data sets:
Data typeCount
13C chemical shifts827
15N chemical shifts282
1H chemical shifts282

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
12B4alpha1
22B4beta2

Entities:

Entity 1, 2B4alpha 207 residues - 22790 Da.

1   METARGGLYASPGLNVALGLUGLNSERPRO
2   SERALALEUSERLEUHISGLUGLYTHRGLY
3   SERALALEUARGCYSASNPHETHRTHRTHR
4   METARGALAVALGLNTRPPHEGLNGLNASN
5   SERARGGLYSERLEUILEASNLEUPHETYR
6   LEUALASERGLYTHRLYSGLUASNGLYARG
7   LEULYSSERTHRPHEASNSERLYSGLUSER
8   TYRSERTHRLEUHISILEARGASPALAGLN
9   LEUGLUASPSERGLYTHRTYRPHECYSALA
10   ALALEUARGALATHRGLYGLYASNASNLYS
11   LEUTHRPHEGLYGLNGLYTHRVALLEUSER
12   VALILEPROASPILEGLNASNPROASPPRO
13   ALAVALTYRGLNLEUARGASPSERLYSSER
14   SERASPLYSSERVALCYSLEUPHETHRASP
15   PHEASPSERGLNTHRASNVALSERGLNSER
16   LYSASPSERASPVALTYRILETHRASPLYS
17   CYSVALLEUASPMETARGSERMETASPPHE
18   LYSSERASNSERALAVALALATRPSERASN
19   LYSSERASPPHEALACYSALAASNALAPHE
20   ASNASNSERILEILEPROGLUASPTHRPHE
21   PHEPROSERPROGLUSERSER

Entity 2, 2B4beta 243 residues - 27745 Da.

1   METLYSVALILEGLNTHRPROARGTYRLEU
2   VALLYSGLYGLNGLYGLNLYSALALYSMET
3   ARGCYSILEPROGLULYSGLYHISPROVAL
4   VALPHETRPTYRGLNGLNASNLYSASNASN
5   GLUPHELYSPHELEUILEASNPHEGLNASN
6   GLNGLUVALLEUGLNGLNILEASPMETTHR
7   GLULYSARGPHESERALAGLUCYSPROSER
8   ASNSERPROCYSSERLEUGLUILEGLNSER
9   SERGLUALAGLYASPSERALALEUTYRLEU
10   CYSALASERSERLEUASNTRPSERGLNASP
11   THRGLNTYRPHEGLYPROGLYTHRARGLEU
12   LEUVALLEUGLUASPLEULYSASNVALPHE
13   PROPROGLUVALALAVALPHEGLUPROSER
14   GLUALAGLUILESERHISTHRGLNLYSALA
15   THRLEUVALCYSLEUALATHRGLYPHETYR
16   PROASPHISVALGLULEUSERTRPTRPVAL
17   ASNGLYLYSGLUVALHISSERGLYVALCYS
18   THRASPPROGLNPROLEULYSGLUGLNPRO
19   ALALEUASNASPSERARGTYRALALEUSER
20   SERARGLEUARGVALSERALATHRPHETRP
21   GLNASNPROARGASNHISPHEARGCYSGLN
22   VALGLNPHETYRGLYLEUSERGLUASNASP
23   GLUTRPTHRGLNASPARGALALYSPROVAL
24   THRGLNILEVALSERALAGLUALATRPGLY
25   ARGALAASP

Samples:

sample_1: 2B4alpha, [U-100% 13C; U-100% 15N; U-80% 2H], 200 uM; H2O 90%; D2O 10%; MES 200 mM; Arginine 100 mM

sample_2: 2B4beta, [U-100% 13C; U-100% 15N; U-80% 2H], 300 uM; H2O 90%; D2O 10%; MES 200 mM; Arginine 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 295 K

sample_conditions_2: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2
3D HNCOsample_2isotropicsample_conditions_2
3D HNCAsample_2isotropicsample_conditions_2
3D HNCACBsample_2isotropicsample_conditions_2
3D HN(CO)CACBsample_2isotropicsample_conditions_2
3D HN(CA)COsample_2isotropicsample_conditions_2
3D HN(CO)CAsample_2isotropicsample_conditions_2

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker Avance 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks