BMRB Entry 53099

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53099

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Title:
Mineralocorticoid Receptor Activation Domain (MR AD) 2M urea
Deposition date:
2025-05-05
Original release date:
2026-01-06
Authors:
Bielskute, Stase; Garcia, Jesus; Salvatella, Xavier
Citation:

Citation: Bielskute, Stase; Mateos, Borja; Awawdy, Muhammad; Garcia-Cabau, Carla; Niskanen, Henri; Sanchez-Zarzalejo, Carolina; Bracaglia, Lorenzo; Pierattelli, Roberta; Felli, Isabella; Frigole-Vivas, Marta; Garcia, Jesus; Riera, Antoni; Hnisz, Denes; Salvatella, Xavier. "Oligomerization enables the selective targeting of an intrinsically disordered region by a small molecule"  Sci. Adv. ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 602 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: pDEST17

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: METKGYHSLPEGLDMERRWG QVSQAVERSSLGPTERTDEN NYMEIVNVSCVSGAIPNNST QGSSKEKQELLPCLQQDNNR PGILTSDIKTELESKELSAT VAESMGLYMDSVRDADYSYE QQNQQGSMSPAKIYQNVEQL VKFYKGNGHRPSTLSCVNTP LRSFMSDSGSSVNGGVMRAV VKSPIMCHEKSPSVCSPLNM TSSVCSPAGINSVSSTTASF GSFPVHSPITQGTPLTCSPN VENRGSRSHSPAHASNVGSP LSSPLSSMKSSISSPPSHCS VKSPVSSPNNVTLRSSVSSP ANINNSRCSVSSPSNTNNRS TLSSPAASTVGSICSPVNNA FSYTASGTSAGSSTLRDVVP SPDTQEKGAQEVPFPKTEEV ESAISNGVTGQLNIVQYIKP EPDGAFSSSCLGGNSKINSD SSFSVPIKQESTKHSCSGTS FKGNPTVNPFPFMDGSYFSF MDDKDYYSLSGILGPPVPGF DGNCEGSGFPVGIKQEPDDG SYYPEASIPSSAIVGVNSGG QSFHYRIGAQGTISLSRSAR DQSFQHLSSFPPVNTLVESW KSHGDLSSRRSDGYPVLEYI PENVSSSTLRSVSTGSSRPS KI

Data sets:
Data typeCount
13C chemical shifts1533
15N chemical shifts496
1H chemical shifts496

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1MR AD 2Murea1

Entities:

Entity 1, MR AD 2Murea 602 residues - Formula weight is not available

1   METGLUTHRLYSGLYTYRHISSERLEUPRO
2   GLUGLYLEUASPMETGLUARGARGTRPGLY
3   GLNVALSERGLNALAVALGLUARGSERSER
4   LEUGLYPROTHRGLUARGTHRASPGLUASN
5   ASNTYRMETGLUILEVALASNVALSERCYS
6   VALSERGLYALAILEPROASNASNSERTHR
7   GLNGLYSERSERLYSGLULYSGLNGLULEU
8   LEUPROCYSLEUGLNGLNASPASNASNARG
9   PROGLYILELEUTHRSERASPILELYSTHR
10   GLULEUGLUSERLYSGLULEUSERALATHR
11   VALALAGLUSERMETGLYLEUTYRMETASP
12   SERVALARGASPALAASPTYRSERTYRGLU
13   GLNGLNASNGLNGLNGLYSERMETSERPRO
14   ALALYSILETYRGLNASNVALGLUGLNLEU
15   VALLYSPHETYRLYSGLYASNGLYHISARG
16   PROSERTHRLEUSERCYSVALASNTHRPRO
17   LEUARGSERPHEMETSERASPSERGLYSER
18   SERVALASNGLYGLYVALMETARGALAVAL
19   VALLYSSERPROILEMETCYSHISGLULYS
20   SERPROSERVALCYSSERPROLEUASNMET
21   THRSERSERVALCYSSERPROALAGLYILE
22   ASNSERVALSERSERTHRTHRALASERPHE
23   GLYSERPHEPROVALHISSERPROILETHR
24   GLNGLYTHRPROLEUTHRCYSSERPROASN
25   VALGLUASNARGGLYSERARGSERHISSER
26   PROALAHISALASERASNVALGLYSERPRO
27   LEUSERSERPROLEUSERSERMETLYSSER
28   SERILESERSERPROPROSERHISCYSSER
29   VALLYSSERPROVALSERSERPROASNASN
30   VALTHRLEUARGSERSERVALSERSERPRO
31   ALAASNILEASNASNSERARGCYSSERVAL
32   SERSERPROSERASNTHRASNASNARGSER
33   THRLEUSERSERPROALAALASERTHRVAL
34   GLYSERILECYSSERPROVALASNASNALA
35   PHESERTYRTHRALASERGLYTHRSERALA
36   GLYSERSERTHRLEUARGASPVALVALPRO
37   SERPROASPTHRGLNGLULYSGLYALAGLN
38   GLUVALPROPHEPROLYSTHRGLUGLUVAL
39   GLUSERALAILESERASNGLYVALTHRGLY
40   GLNLEUASNILEVALGLNTYRILELYSPRO
41   GLUPROASPGLYALAPHESERSERSERCYS
42   LEUGLYGLYASNSERLYSILEASNSERASP
43   SERSERPHESERVALPROILELYSGLNGLU
44   SERTHRLYSHISSERCYSSERGLYTHRSER
45   PHELYSGLYASNPROTHRVALASNPROPHE
46   PROPHEMETASPGLYSERTYRPHESERPHE
47   METASPASPLYSASPTYRTYRSERLEUSER
48   GLYILELEUGLYPROPROVALPROGLYPHE
49   ASPGLYASNCYSGLUGLYSERGLYPHEPRO
50   VALGLYILELYSGLNGLUPROASPASPGLY
51   SERTYRTYRPROGLUALASERILEPROSER
52   SERALAILEVALGLYVALASNSERGLYGLY
53   GLNSERPHEHISTYRARGILEGLYALAGLN
54   GLYTHRILESERLEUSERARGSERALAARG
55   ASPGLNSERPHEGLNHISLEUSERSERPHE
56   PROPROVALASNTHRLEUVALGLUSERTRP
57   LYSSERHISGLYASPLEUSERSERARGARG
58   SERASPGLYTYRPROVALLEUGLUTYRILE
59   PROGLUASNVALSERSERSERTHRLEUARG
60   SERVALSERTHRGLYSERSERARGPROSER
61   LYSILE

Samples:

sample_1: MR AD, [U-100% 13C; U-100% 15N], 190 uM; D2O, [U-100% 2H], 2%; DSS 10 uM; sodium azide 0.05%; sodium phosphate 20 mM; TCEP 1 mM; urea 2 M

sample_conditions_1: ionic strength: 100 mM; pH: 7.4; pressure: 1 atm; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HN(CA)NNHsample_1isotropicsample_conditions_1

Software:

CcpNMR - chemical shift assignment, data analysis

TOPSPIN - collection

NMRPipe - processing

qMDD - processing

NMR spectrometers:

  • Bruker Ascend Evo 1000 MHz

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