BMRB Entry 15219

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15219

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Title:
Backbone 1H, 15N and 13C chemical shift assingments for human retinoid X receptor ligand-binding domain in complex with 9-cis retinoic acid and a glucocorticoid receptor interacting protein-1 peptide
Deposition date:
2007-04-19
Original release date:
2008-02-20
Authors:
Lu, Jianyun; Chen, Minghe; DeKoster, Gregory; Cistola, David; Li, Ellen
Citation:

Citation: Lu, Jianyun; Chen, Minghe; DeKoster, Gregory; Cistola, David; Li, Ellen. "The RXRalpha C-terminus T462 is a NMR sensor for coactivator peptide binding"  Biochem. Biophys. Res. Commun. 366, 932-937 (2008).
PubMed: 18088598

Assembly members:

Assembly members:
RXRalpha_LBD, polymer, 244 residues, 27235.5 Da.
GRIP1_NR_Box_2, polymer, 13 residues, 1574.8 Da.
REA, non-polymer, 300.435 Da.

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: pET15b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
RXRalpha_LBD: GSHMTSSANEDMPVERILEA ELAVEPKTETYVEANMGLNP SSPNDPVTNICQAADKQLFT LVEWAKRIPHFSELPLDDQV ILLRAGWNELLIASFSHRSI AVKDGILLATGLHVHRNSAH SAGVGAIFDRVLTELVSKMR DMQMDKTELGCLRAIVLFNP DSKGLSNPAEVEALREKVYA SLEAYCKHKYPEQPGRFAKL LLRLPALRSIGLKCLEHLFF FKLIGDTPIDTFLMEMLEAP HQMT
GRIP1_NR_Box_2: KHKILHRLLQDSS

Data sets:
Data typeCount
13C chemical shifts578
15N chemical shifts182
1H chemical shifts182

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1RXRalpha LBD1
2GRIP1 NR Box 22
39-cis-retinoic acid3

Entities:

Entity 1, RXRalpha LBD 244 residues - 27235.5 Da.

Residues 1-4 represent a non-native affinity tag remnant

1   GLYSERHISMETTHRSERSERALAASNGLU
2   ASPMETPROVALGLUARGILELEUGLUALA
3   GLULEUALAVALGLUPROLYSTHRGLUTHR
4   TYRVALGLUALAASNMETGLYLEUASNPRO
5   SERSERPROASNASPPROVALTHRASNILE
6   CYSGLNALAALAASPLYSGLNLEUPHETHR
7   LEUVALGLUTRPALALYSARGILEPROHIS
8   PHESERGLULEUPROLEUASPASPGLNVAL
9   ILELEULEUARGALAGLYTRPASNGLULEU
10   LEUILEALASERPHESERHISARGSERILE
11   ALAVALLYSASPGLYILELEULEUALATHR
12   GLYLEUHISVALHISARGASNSERALAHIS
13   SERALAGLYVALGLYALAILEPHEASPARG
14   VALLEUTHRGLULEUVALSERLYSMETARG
15   ASPMETGLNMETASPLYSTHRGLULEUGLY
16   CYSLEUARGALAILEVALLEUPHEASNPRO
17   ASPSERLYSGLYLEUSERASNPROALAGLU
18   VALGLUALALEUARGGLULYSVALTYRALA
19   SERLEUGLUALATYRCYSLYSHISLYSTYR
20   PROGLUGLNPROGLYARGPHEALALYSLEU
21   LEULEUARGLEUPROALALEUARGSERILE
22   GLYLEULYSCYSLEUGLUHISLEUPHEPHE
23   PHELYSLEUILEGLYASPTHRPROILEASP
24   THRPHELEUMETGLUMETLEUGLUALAPRO
25   HISGLNMETTHR

Entity 2, GRIP1 NR Box 2 13 residues - 1574.8 Da.

1   LYSHISLYSILELEUHISARGLEULEUGLN
2   ASPSERSER

Entity 3, 9-cis-retinoic acid - C20 H28 O2 - 300.435 Da.

1   REA

Samples:

sample_1: RXRalpha LBD, [U-13C; U-15N; U-2H], 1.0 mM; 9-cis-retinoic acid 1.0 mM; GRIP1 NR Box 2 1.0 mM; potassium phosphate 20 mM; potassium chloride 50 mM; sodium azide 0.05%; EDTA 0.5 mM; beta-mercaptoethanol 8 mM; D2O 5%; H2O 95 mM

sample_conditions_1: ionic strength: 0.21 M; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
4D TROSY-HNCOCAsample_1isotropicsample_conditions_1
4D TROSY-HNCOi-1CAisample_1isotropicsample_conditions_1
4D TROSY-HNCACOsample_1isotropicsample_conditions_1
4D 15N,15N-NOESYsample_1isotropicsample_conditions_1
3D TROSY-HNCOsample_1isotropicsample_conditions_1
3D TROSY-HN(CA)COsample_1isotropicsample_conditions_1
3D TROSY-HNCACBsample_1isotropicsample_conditions_1
3D TROSY-HN(CO)CACBsample_1isotropicsample_conditions_1
2D 1H-15N TROSY-HSQCsample_1isotropicsample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 700 MHz
  • Varian INOVA 500 MHz

Related Database Links:

PDB
DBJ BAE26004 BAE73032 BAG54745 BAG72733 BAH02296
EMBL CAA36982 CAA46962 CAL25727 CAL25728 CAL36079
GB AAA40080 AAA42093 AAB36777 AAB36778 AAC95154
PRF 1609194A
REF NP_001277410 NP_001277411 NP_001278849 NP_001278850 NP_001291272
SP P19793 P28700 Q05343
TPG DAA24096
AlphaFold P19793 P28700 Q05343

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