BMRB Entry 51685

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51685

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Title:
Backbone 1H, 13C and 15N Chemical Shift Assignments and Relaxation Parameters for Ubl domain and Linker in Full-length USP14
Deposition date:
2022-11-02
Original release date:
2024-04-15
Authors:
Salomonsson, Johannes; Wallner, Bjorn; Sjostrand, Linda; D'Arcy, Padraig; Ahlner, Alexandra; Sunnerhagen, Maria
Citation:

Citation: Salomonsson, Johannes; Wallner, Bjorn; Sjostrand, Linda; D'Arcy, Padraig; Sunnerhagen, Maria; Ahlner, Alexandra. "Transient interdomain interactions in free USP14 shape its conformational ensemble"  Protein Sci. 33, e4975-e4975 (2024).
PubMed: 38588275

Assembly members:

Assembly members:
entity_1, polymer, 494 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: pNIC-28-Bsa4

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MPLYSVTVKWGKEKFEGVEL NTDEPPMVFKAQLFALTGVQ PARQKVMVKGGTLKDDDWGN IKIKNGMTLLMMGSADALPE EPSAKTVFVEDMTEEQLASA MELPCGLTNLGNTCYMNATV QCIRSVPELKDALKRYAGAL RASGEMASAQYITAALRDLF DSMDKTSSSIPPIILLQFLH MAFPQFAEKGEQGQYLQQDA NECWIQMMRVLQQKLEAIED DSVKETDSSSASAATPSKKK SLIDQFFGVEFETTMKCTES EEEEVTKGKENQLQLSCFIN QEVKYLFTGLKLRLQEEITK QSPTLQRNALYIKSSKISRL PAYLTIQMVRFFYKEKESVN AKVLKDVKFPLMLDMYELCT PELQEKMVSFRSKFKDLEDK KVNQQPNTSDKKSSPQKEVK YEPFSFADDIGSNNCGYYDL QAVLTHQGRSSSSGHYVSWV KRKQDEWIKFDDDKVSIVTP EDILRLSGGGDWHIAYVLLY GPRRVEIMEEESEQ

Data sets:
Data typeCount
13C chemical shifts400
15N chemical shifts131
1H chemical shifts131
T1 relaxation values87
T2 relaxation values86
heteronuclear NOE values84
order parameters84

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ubl domain and linker1

Entities:

Entity 1, Ubl domain and linker 494 residues - Formula weight is not available

1   METPROLEUTYRSERVALTHRVALLYSTRP
2   GLYLYSGLULYSPHEGLUGLYVALGLULEU
3   ASNTHRASPGLUPROPROMETVALPHELYS
4   ALAGLNLEUPHEALALEUTHRGLYVALGLN
5   PROALAARGGLNLYSVALMETVALLYSGLY
6   GLYTHRLEULYSASPASPASPTRPGLYASN
7   ILELYSILELYSASNGLYMETTHRLEULEU
8   METMETGLYSERALAASPALALEUPROGLU
9   GLUPROSERALALYSTHRVALPHEVALGLU
10   ASPMETTHRGLUGLUGLNLEUALASERALA
11   METGLULEUPROCYSGLYLEUTHRASNLEU
12   GLYASNTHRCYSTYRMETASNALATHRVAL
13   GLNCYSILEARGSERVALPROGLULEULYS
14   ASPALALEULYSARGTYRALAGLYALALEU
15   ARGALASERGLYGLUMETALASERALAGLN
16   TYRILETHRALAALALEUARGASPLEUPHE
17   ASPSERMETASPLYSTHRSERSERSERILE
18   PROPROILEILELEULEUGLNPHELEUHIS
19   METALAPHEPROGLNPHEALAGLULYSGLY
20   GLUGLNGLYGLNTYRLEUGLNGLNASPALA
21   ASNGLUCYSTRPILEGLNMETMETARGVAL
22   LEUGLNGLNLYSLEUGLUALAILEGLUASP
23   ASPSERVALLYSGLUTHRASPSERSERSER
24   ALASERALAALATHRPROSERLYSLYSLYS
25   SERLEUILEASPGLNPHEPHEGLYVALGLU
26   PHEGLUTHRTHRMETLYSCYSTHRGLUSER
27   GLUGLUGLUGLUVALTHRLYSGLYLYSGLU
28   ASNGLNLEUGLNLEUSERCYSPHEILEASN
29   GLNGLUVALLYSTYRLEUPHETHRGLYLEU
30   LYSLEUARGLEUGLNGLUGLUILETHRLYS
31   GLNSERPROTHRLEUGLNARGASNALALEU
32   TYRILELYSSERSERLYSILESERARGLEU
33   PROALATYRLEUTHRILEGLNMETVALARG
34   PHEPHETYRLYSGLULYSGLUSERVALASN
35   ALALYSVALLEULYSASPVALLYSPHEPRO
36   LEUMETLEUASPMETTYRGLULEUCYSTHR
37   PROGLULEUGLNGLULYSMETVALSERPHE
38   ARGSERLYSPHELYSASPLEUGLUASPLYS
39   LYSVALASNGLNGLNPROASNTHRSERASP
40   LYSLYSSERSERPROGLNLYSGLUVALLYS
41   TYRGLUPROPHESERPHEALAASPASPILE
42   GLYSERASNASNCYSGLYTYRTYRASPLEU
43   GLNALAVALLEUTHRHISGLNGLYARGSER
44   SERSERSERGLYHISTYRVALSERTRPVAL
45   LYSARGLYSGLNASPGLUTRPILELYSPHE
46   ASPASPASPLYSVALSERILEVALTHRPRO
47   GLUASPILELEUARGLEUSERGLYGLYGLY
48   ASPTRPHISILEALATYRVALLEULEUTYR
49   GLYPROARGARGVALGLUILEMETGLUGLU
50   GLUSERGLUGLN

Samples:

sample_1: USP14, [U-99% 13C; U-99% 15N], 0.3 mM; HEPES 20 mM; sodium chloride 100 mM; TCEP 0.5 mM; sodium azide 0.02 mM

sample_conditions_1: pH: 6.9; pressure: 1 atm; temperature: 298.15 K

sample_conditions_2: pH: 6.9; pressure: 1 atm; temperature: 303.15 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_2
3D HNCOsample_1isotropicsample_conditions_2
3D HN(CA)COsample_1isotropicsample_conditions_2
3D HNCACBsample_1isotropicsample_conditions_2
3D CBCA(CO)NHsample_1isotropicsample_conditions_2
T1/R1 relaxationsample_1isotropicsample_conditions_1
T1rho/R1rho relaxationsample_1isotropicsample_conditions_1
1H-15N heteronoesample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_2
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

PINT - data analysis

COMPASS - chemical shift assignment

NMRFAM-SPARKY - chemical shift assignment, peak picking

Tensor2 - data analysis

qMDD - processing

NMR spectrometers:

  • Varian INOVA 600 MHz

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