BMRB Entry 27328

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27328

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Title:
Chemical shifts of the human GPCR A2AAR in complex with the antagonist ZM241385 at pH 7
Deposition date:
2017-12-04
Original release date:
2018-02-07
Authors:
Eddy, Matthew; Lee, Ming-Yue; Gao, Zhan-Guo; White, Kate; Didenko, Tatiana; Horst, Reto; Audet, Martin; Stanczak, Pawel; McClary, Kyle; Han, Gye Won; Jacobson, Kenneth; Stevens, Raymond; Wuthrich, Kurt
Citation:

Citation: Eddy, Matthew; Lee, Ming-Yue; Gao, Zhan-Guo; White, Kate; Didenko, Tatiana; Horst, Reto; Audet, Martin; Stanczak, Pawel; McClary, Kyle; Han, Gye Won; Jacobson, Kenneth; Stevens, Raymond; Wuthrich, Kurt. "Allosteric Coupling of Drug Binding and Intracellular Signaling in the A2A Adenosine Receptor"  Cell 172, 68-80 (2018).
PubMed: 29290469

Assembly members:

Assembly members:
Human_A2AAR, polymer, 335 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: Pichia pastoris   Vector: pPIC9k

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Human_A2AAR: MDYKDDDDKMPIMGSSVYIT VELAIAVLAILGNVLVCWAV WLNSNLQNVTNYFVVSLAAA DIAVGVLAIPFAITISTGFC AACHGCLFIACFVLVLTQSS IFSLLAIAIDRYIAIRIPLR YNGLVTGTRAKGIIAICWVL SFAIGLTPMLGWNNCGQPKE GKQHSQGCGEGQVACLFEDV VPMNYMVYFNFFACVLVPLL LMLGVYLRIFLAARRQLKQM ESQPLPGERARSTLQKEVHA AKSLAIIVGLFALCWLPLHI INCFTFFCPDCSHAPLWLMY LAIVLSHTNSVVNPFIYAYR IREFRQTFRKIIRSHVLRQQ EPFKAHHHHHHHHHH

Data sets:
Data typeCount
15N chemical shifts14
1H chemical shifts14

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Human A2AAR(1-316)1

Entities:

Entity 1, Human A2AAR(1-316) 335 residues - Formula weight is not available

1   METASPTYRLYSASPASPASPASPLYSMET
2   PROILEMETGLYSERSERVALTYRILETHR
3   VALGLULEUALAILEALAVALLEUALAILE
4   LEUGLYASNVALLEUVALCYSTRPALAVAL
5   TRPLEUASNSERASNLEUGLNASNVALTHR
6   ASNTYRPHEVALVALSERLEUALAALAALA
7   ASPILEALAVALGLYVALLEUALAILEPRO
8   PHEALAILETHRILESERTHRGLYPHECYS
9   ALAALACYSHISGLYCYSLEUPHEILEALA
10   CYSPHEVALLEUVALLEUTHRGLNSERSER
11   ILEPHESERLEULEUALAILEALAILEASP
12   ARGTYRILEALAILEARGILEPROLEUARG
13   TYRASNGLYLEUVALTHRGLYTHRARGALA
14   LYSGLYILEILEALAILECYSTRPVALLEU
15   SERPHEALAILEGLYLEUTHRPROMETLEU
16   GLYTRPASNASNCYSGLYGLNPROLYSGLU
17   GLYLYSGLNHISSERGLNGLYCYSGLYGLU
18   GLYGLNVALALACYSLEUPHEGLUASPVAL
19   VALPROMETASNTYRMETVALTYRPHEASN
20   PHEPHEALACYSVALLEUVALPROLEULEU
21   LEUMETLEUGLYVALTYRLEUARGILEPHE
22   LEUALAALAARGARGGLNLEULYSGLNMET
23   GLUSERGLNPROLEUPROGLYGLUARGALA
24   ARGSERTHRLEUGLNLYSGLUVALHISALA
25   ALALYSSERLEUALAILEILEVALGLYLEU
26   PHEALALEUCYSTRPLEUPROLEUHISILE
27   ILEASNCYSPHETHRPHEPHECYSPROASP
28   CYSSERHISALAPROLEUTRPLEUMETTYR
29   LEUALAILEVALLEUSERHISTHRASNSER
30   VALVALASNPROPHEILETYRALATYRARG
31   ILEARGGLUPHEARGGLNTHRPHEARGLYS
32   ILEILEARGSERHISVALLEUARGGLNGLN
33   GLUPROPHELYSALAHISHISHISHISHIS
34   HISHISHISHISHIS

Samples:

sample_1: Human A2AAR, [U-15N; ~70% 2H], 250 uM; ZM241385 1 mM; HEPES pH 7 25 mM; LMNG/CHS 5 mM; sodium chloride 75 mM

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N TROSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.5pl2, Bruker Biospin - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz

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