BMRB Entry 51454

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51454

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Title:
1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with CCX777
Deposition date:
2022-05-19
Original release date:
2022-08-08
Authors:
Jenjak, Shawn; Peterson, Francis; Volkman, Brian; Kleist, Andrew
Citation:

Citation: Kleist, Andrew; Jenjak, Shawn; Sente, Andrija; Laskowski, Lauren; Szpakowska, Martyna; Calkins, Maggie; Anderson, Emilie; McNally, Lisa; Heukers, Raimond; Bobkov, Vladimir; Peterson, Francis; Thomas, Monica; Chevigne, Andy; Smit, Martine; McCorvy, John; Babu, M Madan; Volkman, Brian. "Conformational selection guides beta-arrestin recruitment at a biased G protein-coupled receptor"  Science 377, 222-228 (2022).
PubMed: 35857540

Assembly members:

Assembly members:
entity_1, polymer, 361 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: Spodoptera frugiperda   Vector: pFastBac

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: DLHLFDYSEPGNFSDISWPC NSSDCIVVDTVMCPNMPNKS VLLYTLSFIYIFIFVIGMIA NSVVVWVNIQAKTTGYDTHC YILNLAIADLWVVLTIPVWV VSLVQHNQWPMGELTCKVTH LIFSINLFGSIFFLTCMSVD RYLSITYFTNTPSSRKKMVR RVVCILVWLLAFCVSLPDTY YLKTVTSASNNETYCRSFYP EHSIKEWLIGMELVSVVLGF AVPFSIIAVFYFLLARAISA SSDQEKHSSRKIIFSYVVVF LVCWLPYHVAVLLDIFSILH YIPFTCRLEHALFTALHVTQ CLSLVHCCVNPVLYSFINRN YRYELMKAFIFKYSAKTGLT KLIDASRVSETEYSALEQST K

Data sets:
Data typeCount
13C chemical shifts5
1H chemical shifts15

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1ACKR3-CCX7771

Entities:

Entity 1, ACKR3-CCX777 361 residues - Formula weight is not available

1   ASPLEUHISLEUPHEASPTYRSERGLUPRO
2   GLYASNPHESERASPILESERTRPPROCYS
3   ASNSERSERASPCYSILEVALVALASPTHR
4   VALMETCYSPROASNMETPROASNLYSSER
5   VALLEULEUTYRTHRLEUSERPHEILETYR
6   ILEPHEILEPHEVALILEGLYMETILEALA
7   ASNSERVALVALVALTRPVALASNILEGLN
8   ALALYSTHRTHRGLYTYRASPTHRHISCYS
9   TYRILELEUASNLEUALAILEALAASPLEU
10   TRPVALVALLEUTHRILEPROVALTRPVAL
11   VALSERLEUVALGLNHISASNGLNTRPPRO
12   METGLYGLULEUTHRCYSLYSVALTHRHIS
13   LEUILEPHESERILEASNLEUPHEGLYSER
14   ILEPHEPHELEUTHRCYSMETSERVALASP
15   ARGTYRLEUSERILETHRTYRPHETHRASN
16   THRPROSERSERARGLYSLYSMETVALARG
17   ARGVALVALCYSILELEUVALTRPLEULEU
18   ALAPHECYSVALSERLEUPROASPTHRTYR
19   TYRLEULYSTHRVALTHRSERALASERASN
20   ASNGLUTHRTYRCYSARGSERPHETYRPRO
21   GLUHISSERILELYSGLUTRPLEUILEGLY
22   METGLULEUVALSERVALVALLEUGLYPHE
23   ALAVALPROPHESERILEILEALAVALPHE
24   TYRPHELEULEUALAARGALAILESERALA
25   SERSERASPGLNGLULYSHISSERSERARG
26   LYSILEILEPHESERTYRVALVALVALPHE
27   LEUVALCYSTRPLEUPROTYRHISVALALA
28   VALLEULEUASPILEPHESERILELEUHIS
29   TYRILEPROPHETHRCYSARGLEUGLUHIS
30   ALALEUPHETHRALALEUHISVALTHRGLN
31   CYSLEUSERLEUVALHISCYSCYSVALASN
32   PROVALLEUTYRSERPHEILEASNARGASN
33   TYRARGTYRGLULEUMETLYSALAPHEILE
34   PHELYSTYRSERALALYSTHRGLYLEUTHR
35   LYSLEUILEASPALASERARGVALSERGLU
36   THRGLUTYRSERALALEUGLUGLNSERTHR
37   LYS

Samples:

sample_1: entity_1, [13C MET], mM; HEPES 20 mM; sodium chloride 150 mM; MNG 0.025%; CHS 0.005%

sample_conditions_1: ionic strength: 161 mM; pH: 7.4; pressure: 1 atm; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

XEASY - data analysis

NMR spectrometers:

  • Bruker AVANCE NEO 800 MHz