BMRB Entry 51480

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51480

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Title:
Androgen Receptor NTD
Deposition date:
2022-06-02
Original release date:
2023-11-17
Authors:
Garcia, Jesus; Salvatella, Xavier
Citation:

Citation: Basu, Shaon; Martinez-Cristobal, Paula; Frigole-Vivas, Marta; Pesarrodona, Mireia; Lewis, Michael; Szulc, Elzbieta; Banuelos, C Adriana; Sanchez-Zarzalejo, Carolina; Bielskute, Stase; Zhu, Jiaqi; Pombo-Garcia, Karina; Garcia-Cabau, Carla; Zodi, Levente; Dockx, Hannes; Smak, Jordann; Kaur, Harpreet; Batlle, Cristina; Mateos, Borja; Biesaga, Mateusz; Escobedo, Albert; Bardia, Lidia; Verdaguer, Xavier; Ruffoni, Alessandro; Mawji, Nasrin; Wang, Jun; Obst, Jon; Tam, Teresa; Brun-Heath, Isabelle; Ventura, Salvador; Meierhofer, David; Garcia, Jesus; Robustelli, Paul; Stracker, Travis; Sadar, Marianne; Riera, Antoni; Hnisz, Denes; Salvatella, Xavier. "Rational optimization of a transcription factor activation domain inhibitor"  Nat. Struct. Mol. Biol. 30, 1958-1969 (2023).
PubMed: 38049566

Assembly members:

Assembly members:
entity_1, polymer, 558 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: MEVQLGLGRVYPRPPSKTYR GAFQNLFQSVREVIQNPGPR HPEAASAAPPGASLLLLQQQ QQQQQQQQQQQQQQQQQQET SPRQQQQQQGEDGSPQAHRR GPTGYLVLDEEQQPSQPQSA LECHPERGCVPEPGAAVAAS KGLPQQLPAPPDEDDSAAPS TLSLLGPTFPGLSSCSADLK DILSEASTMQLLQQQQQEAV SEGSSSGRAREASGAPTSSK DNYLGGTSTISDNAKELCKA VSVSMGLGVEALEHLSPGEQ LRGDCMYAPLLGVPPAVRPT PCAPLAECKGSLLDDSAGKS TEDTAEYSPFKGGYTKGLEG ESLGCSGSAAAGSSGTLELP STLSLYKSGALDEAAAYQSR DYYNFPLALAGPPPPPPPPH PHARIKLENPLDYGSAWAAA AAQCRYGDLASLHGAGAAGP GSGSPSAAASSSWHTLFTAE EGQLYGPCGGGGGGGGGGGG GGGGGGGGGGGGEAGAVAPY GYTRPPQGLAGQESDFTAPD VWYPGGMVSRVPYPSPTCVK SEMGPWMDSYSGPYGDMRLE TARDHVLPIDYYFPPQKT

Data sets:
Data typeCount
13C chemical shifts994
15N chemical shifts356
1H chemical shifts357

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AR NTD1

Entities:

Entity 1, AR NTD 558 residues - Formula weight is not available

1   METGLUVALGLNLEUGLYLEUGLYARGVAL
2   TYRPROARGPROPROSERLYSTHRTYRARG
3   GLYALAPHEGLNASNLEUPHEGLNSERVAL
4   ARGGLUVALILEGLNASNPROGLYPROARG
5   HISPROGLUALAALASERALAALAPROPRO
6   GLYALASERLEULEULEULEUGLNGLNGLN
7   GLNGLNGLNGLNGLNGLNGLNGLNGLNGLN
8   GLNGLNGLNGLNGLNGLNGLNGLNGLUTHR
9   SERPROARGGLNGLNGLNGLNGLNGLNGLY
10   GLUASPGLYSERPROGLNALAHISARGARG
11   GLYPROTHRGLYTYRLEUVALLEUASPGLU
12   GLUGLNGLNPROSERGLNPROGLNSERALA
13   LEUGLUCYSHISPROGLUARGGLYCYSVAL
14   PROGLUPROGLYALAALAVALALAALASER
15   LYSGLYLEUPROGLNGLNLEUPROALAPRO
16   PROASPGLUASPASPSERALAALAPROSER
17   THRLEUSERLEULEUGLYPROTHRPHEPRO
18   GLYLEUSERSERCYSSERALAASPLEULYS
19   ASPILELEUSERGLUALASERTHRMETGLN
20   LEULEUGLNGLNGLNGLNGLNGLUALAVAL
21   SERGLUGLYSERSERSERGLYARGALAARG
22   GLUALASERGLYALAPROTHRSERSERLYS
23   ASPASNTYRLEUGLYGLYTHRSERTHRILE
24   SERASPASNALALYSGLULEUCYSLYSALA
25   VALSERVALSERMETGLYLEUGLYVALGLU
26   ALALEUGLUHISLEUSERPROGLYGLUGLN
27   LEUARGGLYASPCYSMETTYRALAPROLEU
28   LEUGLYVALPROPROALAVALARGPROTHR
29   PROCYSALAPROLEUALAGLUCYSLYSGLY
30   SERLEULEUASPASPSERALAGLYLYSSER
31   THRGLUASPTHRALAGLUTYRSERPROPHE
32   LYSGLYGLYTYRTHRLYSGLYLEUGLUGLY
33   GLUSERLEUGLYCYSSERGLYSERALAALA
34   ALAGLYSERSERGLYTHRLEUGLULEUPRO
35   SERTHRLEUSERLEUTYRLYSSERGLYALA
36   LEUASPGLUALAALAALATYRGLNSERARG
37   ASPTYRTYRASNPHEPROLEUALALEUALA
38   GLYPROPROPROPROPROPROPROPROHIS
39   PROHISALAARGILELYSLEUGLUASNPRO
40   LEUASPTYRGLYSERALATRPALAALAALA
41   ALAALAGLNCYSARGTYRGLYASPLEUALA
42   SERLEUHISGLYALAGLYALAALAGLYPRO
43   GLYSERGLYSERPROSERALAALAALASER
44   SERSERTRPHISTHRLEUPHETHRALAGLU
45   GLUGLYGLNLEUTYRGLYPROCYSGLYGLY
46   GLYGLYGLYGLYGLYGLYGLYGLYGLYGLY
47   GLYGLYGLYGLYGLYGLYGLYGLYGLYGLY
48   GLYGLYGLUALAGLYALAVALALAPROTYR
49   GLYTYRTHRARGPROPROGLNGLYLEUALA
50   GLYGLNGLUSERASPPHETHRALAPROASP
51   VALTRPTYRPROGLYGLYMETVALSERARG
52   VALPROTYRPROSERPROTHRCYSVALLYS
53   SERGLUMETGLYPROTRPMETASPSERTYR
54   SERGLYPROTYRGLYASPMETARGLEUGLU
55   THRALAARGASPHISVALLEUPROILEASP
56   TYRTYRPHEPROPROGLNLYSTHR

Samples:

sample_1: AR NTD, [U-100% 13C; U-100% 15N], 100 uM; D2O, [U-2H], 10%; sodium phosphate 20 mM; sodium azide 0.05%; TCEP 1 mM

sample_conditions_1: ionic strength: 0 M; 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 HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1

Software:

NMRPipe - processing

qMDD - processing

CcpNMR - chemical shift assignment

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz

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