BMRB Entry 52974

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52974

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Title:
1H, 13C and 15N backbone resonance assignment of the catalytic domain of human PTPN22
Deposition date:
2025-03-18
Original release date:
2025-11-15
Authors:
Martin, Bryan; Clarkson, Michael; Di Lello, Paola
Citation:

Citation: Martin, Bryan; Clarkson, Michael; Wu, Ping; Di Lello, Paola. "1H, 13C and 15N backbone resonance assignment of the catalytic domain of human PTPN22"  Biomol. NMR Assign. 19, 175-181 (2025).
PubMed: 40281380

Assembly members:

Assembly members:
entity_1, polymer, 303 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: pET52b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MDQREILQKFLDEAQSKKIT KEEFANEFLKLKRQSTKYKA DKTYPTTVAEKPKNIKKNRY KDILPYDYSRVELSLITSDE DSSYINANFIKGVYGPKAYI ATQGPLSTTLLDFWRMIWEY SVLIIVMACMEYEMGKKKCE RYWAEPGEMQLEFGPFSVSC EAEKRKSDYIIRTLKVKFNS ETRTIYQFHYKNWPDHDVPS SIDPILELIWDVRCYQEDDS VPICIHCSAGCGRTGVICAI DYTWMLLKDGIIPENFSVFS LIREMRTQRPSLVQTQEQYE LVYNAVLELFKRQMDVIRDK HSG

Data sets:
Data typeCount
13C chemical shifts731
15N chemical shifts232
1H chemical shifts235

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PTPN221

Entities:

Entity 1, PTPN22 303 residues - Formula weight is not available

1   METASPGLNARGGLUILELEUGLNLYSPHE
2   LEUASPGLUALAGLNSERLYSLYSILETHR
3   LYSGLUGLUPHEALAASNGLUPHELEULYS
4   LEULYSARGGLNSERTHRLYSTYRLYSALA
5   ASPLYSTHRTYRPROTHRTHRVALALAGLU
6   LYSPROLYSASNILELYSLYSASNARGTYR
7   LYSASPILELEUPROTYRASPTYRSERARG
8   VALGLULEUSERLEUILETHRSERASPGLU
9   ASPSERSERTYRILEASNALAASNPHEILE
10   LYSGLYVALTYRGLYPROLYSALATYRILE
11   ALATHRGLNGLYPROLEUSERTHRTHRLEU
12   LEUASPPHETRPARGMETILETRPGLUTYR
13   SERVALLEUILEILEVALMETALACYSMET
14   GLUTYRGLUMETGLYLYSLYSLYSCYSGLU
15   ARGTYRTRPALAGLUPROGLYGLUMETGLN
16   LEUGLUPHEGLYPROPHESERVALSERCYS
17   GLUALAGLULYSARGLYSSERASPTYRILE
18   ILEARGTHRLEULYSVALLYSPHEASNSER
19   GLUTHRARGTHRILETYRGLNPHEHISTYR
20   LYSASNTRPPROASPHISASPVALPROSER
21   SERILEASPPROILELEUGLULEUILETRP
22   ASPVALARGCYSTYRGLNGLUASPASPSER
23   VALPROILECYSILEHISCYSSERALAGLY
24   CYSGLYARGTHRGLYVALILECYSALAILE
25   ASPTYRTHRTRPMETLEULEULYSASPGLY
26   ILEILEPROGLUASNPHESERVALPHESER
27   LEUILEARGGLUMETARGTHRGLNARGPRO
28   SERLEUVALGLNTHRGLNGLUGLNTYRGLU
29   LEUVALTYRASNALAVALLEUGLULEUPHE
30   LYSARGGLNMETASPVALILEARGASPLYS
31   HISSERGLY

Samples:

sample_1: PTPN22, [U-13C; U-15N; U-70% 2H], 450 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_2: PTPN22, [U-15N]-Met, 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_3: PTPN22, [U-15N]-Lys, 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_4: PTPN22, [U-15N]-Arg, 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_5: PTPN22, [U-15N]-Cys, 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_6: PTPN22, [U-15N; U-14N-Leu], 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_7: PTPN22, [U-15N; U-14N-Asn], 100 uM; HEPES 10 mM; NaCl 180 mM; TCEP-d16 0.5 mM; EDTA 1 mM; Sodium Azide 3 mM; DSS 50 uM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY-HNCAsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CAsample_1isotropicsample_conditions_1
3D TROSY-HNCACBsample_1isotropicsample_conditions_1
3D TROSY HN(CO)CACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESY-TROSYsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_3isotropicsample_conditions_1
2D 1H-15N TROSYsample_4isotropicsample_conditions_1
2D 1H-15N TROSYsample_5isotropicsample_conditions_1

Software:

TOPSPIN - data collection

NMRPipe/NMRDraw - data processing

NMRViewJ - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE III 800 MHz

Related Database Links:

UNIPROT Q9Y2R2

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