BMRB Entry 26977

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26977

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

Title:
An allosteric site in the T cell receptor constant domain plays a critical role in T cell signaling
Deposition date:
2016-12-19
Original release date:
2017-05-23
Authors:
McShan, Andrew; Natarajan, Kannan; Jiang, Jiansheng; Kumirov, Vlad; Wang, Rui; Zhao, Huaying; Schuck, Peter; Tilahun, Mulualem; Boyd, Lisa; Ying, Jinfa; Bax, Ad; Margulies, David; Sgourakis, Nikolaos
Citation:

Citation: Natarajan, Kannan; McShan, Andrew; Jiang, Jiansheng; Kumirov, Vlad; Wang, Rui; Zhao, Huaying; Schuck, Peter; Tilahun, Mulualem; Boyd, Lisa; Ying, Jinfa; Bax, Ad; Margulies, David; Sgourakis, Nikolaos. "An allosteric site in the T-cell receptor Cbeta domain plays a critical signalling role"  Nat. Commun. 8, 15260-15260 (2017).
PubMed: 28508865

Assembly members:

Assembly members:
B4.2.3_T-cell_receptor_Beta-chain, polymer, 236 residues, Formula weight is not available
B4.2.3_T-cell_receptor_Alpha-chain, polymer, 204 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
B4.2.3_T-cell_receptor_Beta-chain: MKVTQMPRYLIKRMGENVLL ECGQDMSHETMYWYRQDPGL GLQLIYISYDVDSNSEGDIP KGYRVSRKKREHFSLILDSA KTNQTSVYFCASSLGHTEVF FGKGTRLTVVEDLRNVTPPK VSLFEPSKAEIANKQKATLV CLARGFFPDHVELSWWVNGK EVHSGVCTDPQAYKESNYSY ALSSRLRVSATFWHNPRNHF RCQVQFHGLSEEDKWPEGSP KPVTQNISAEAWGRAD
B4.2.3_T-cell_receptor_Alpha-chain: MQQVRQSPQSLTVWEGETAI LNCSYENSAFDYFPWYQQFP GEGPALLISILSVSNKKEDG RFTIFFNKREKKLSLHIADS QPGDSATYFCAASASFGDNS KLIWGLGTSLVVNPNIQNPE PAVYQLKDPRSQDSTLCLFT DFDSQINVPKTMEPGTFITD KCVLDMKAMDSKSNGAIAWS NQTSFTCQDIFKETNATYPS SDVP

Data sets:
Data typeCount
13C chemical shifts698
15N chemical shifts197
1H chemical shifts470

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Beta-chain1
2Alpha-chain2

Entities:

Entity 1, Beta-chain 236 residues - Formula weight is not available

Ecotodomain of B4.2.3 T-cell receptor Beta-chain

1   METLYSVALTHRGLNMETPROARGTYRLEU
2   ILELYSARGMETGLYGLUASNVALLEULEU
3   GLUCYSGLYGLNASPMETSERHISGLUTHR
4   METTYRTRPTYRARGGLNASPPROGLYLEU
5   GLYLEUGLNLEUILETYRILESERTYRASP
6   VALASPSERASNSERGLUGLYASPILEPRO
7   LYSGLYTYRARGVALSERARGLYSLYSARG
8   GLUHISPHESERLEUILELEUASPSERALA
9   LYSTHRASNGLNTHRSERVALTYRPHECYS
10   ALASERSERLEUGLYHISTHRGLUVALPHE
11   PHEGLYLYSGLYTHRARGLEUTHRVALVAL
12   GLUASPLEUARGASNVALTHRPROPROLYS
13   VALSERLEUPHEGLUPROSERLYSALAGLU
14   ILEALAASNLYSGLNLYSALATHRLEUVAL
15   CYSLEUALAARGGLYPHEPHEPROASPHIS
16   VALGLULEUSERTRPTRPVALASNGLYLYS
17   GLUVALHISSERGLYVALCYSTHRASPPRO
18   GLNALATYRLYSGLUSERASNTYRSERTYR
19   ALALEUSERSERARGLEUARGVALSERALA
20   THRPHETRPHISASNPROARGASNHISPHE
21   ARGCYSGLNVALGLNPHEHISGLYLEUSER
22   GLUGLUASPLYSTRPPROGLUGLYSERPRO
23   LYSPROVALTHRGLNASNILESERALAGLU
24   ALATRPGLYARGALAASP

Entity 2, Alpha-chain 204 residues - Formula weight is not available

1   METGLNGLNVALARGGLNSERPROGLNSER
2   LEUTHRVALTRPGLUGLYGLUTHRALAILE
3   LEUASNCYSSERTYRGLUASNSERALAPHE
4   ASPTYRPHEPROTRPTYRGLNGLNPHEPRO
5   GLYGLUGLYPROALALEULEUILESERILE
6   LEUSERVALSERASNLYSLYSGLUASPGLY
7   ARGPHETHRILEPHEPHEASNLYSARGGLU
8   LYSLYSLEUSERLEUHISILEALAASPSER
9   GLNPROGLYASPSERALATHRTYRPHECYS
10   ALAALASERALASERPHEGLYASPASNSER
11   LYSLEUILETRPGLYLEUGLYTHRSERLEU
12   VALVALASNPROASNILEGLNASNPROGLU
13   PROALAVALTYRGLNLEULYSASPPROARG
14   SERGLNASPSERTHRLEUCYSLEUPHETHR
15   ASPPHEASPSERGLNILEASNVALPROLYS
16   THRMETGLUPROGLYTHRPHEILETHRASP
17   LYSCYSVALLEUASPMETLYSALAMETASP
18   SERLYSSERASNGLYALAILEALATRPSER
19   ASNGLNTHRSERPHETHRCYSGLNASPILE
20   PHELYSGLUTHRASNALATHRTYRPROSER
21   SERASPVALPRO

Samples:

sample_1: Beta-chain, [U-13C; U-15N; U-2H], 0.25 mM; Alpha-chain 0.25 mM; sodium chloride 50 mM; HEPES 25 mM; sodium azide 0.01%; Roche protease inhibitor 1U na

sample_2: Beta-chain, [U-15N; U-2H; U-13C-all methyl carbons], 0.25 mM; Alpha-chain 0.25 mM; sodium chloride 50 mM; HEPES 25 mM; sodium azide 0.01%; Roche protease inhibitor 1U na

sample_3: Beta-chain, [U-15N; U-2H; U-13C; -ILV], 0.25 mM; Alpha-chain 0.25 mM; sodium chloride 50 mM; HEPES 25 mM; sodium azide 0.01%; Roche protease inhibitor 1U na

sample_conditions_1: ionic strength: 50 mM; pH: 7.3; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)CBsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-13C SOFAST HMQCsample_2isotropicsample_conditions_1
2D 1H-15N SOFAST HMQCsample_2isotropicsample_conditions_1
3D Hm-CmHm SOFAST NOESY HMQCsample_2isotropicsample_conditions_1
3D Cm-CmHm SOFAST HMQC NOESY HMQCsample_2isotropicsample_conditions_1
3D Hn-CmHm SOFAST NOESY HMQCsample_2isotropicsample_conditions_1
3D Cm-NHn SOFAST HMQC NOESY HMQCsample_2isotropicsample_conditions_1
3D HMCM[CG]CBCAsample_3isotropicsample_conditions_1
4D-[1H, 13C, 13C, 1H]-HMQC NOESY HMQCsample_2isotropicsample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Bruker Ascend 800 MHz
  • Varian INOVA 600 MHz
  • Bruker Avance 900 MHz
  • Bruker Avance 600 MHz

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