PDB
7W6P
Resolution
3.5 Å
Released
Sept. 28, 2022
Receptor
α2A
Class
A
Species
Homo sapiens
Ligand
CHEMBL5542553
Function
Agonist (partial)
Reference
10.1126/SCIENCE.ABN7065

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5542553 V129 3.33x33 TM3 hydrophobic
CHEMBL5542553 I205 45.52x52 ECL2 hydrophobic
CHEMBL5542553 W402 6.48x48 TM6 aromatic (edge-to-face)
CHEMBL5542553 F405 6.51x51 TM6 aromatic (face-to-edge)
CHEMBL5542553 F406 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL5542553 Y409 6.55x55 TM6 hydrophobic
CHEMBL5542553 F427 7.39x38 TM7 aromatic (face-to-face)
CHEMBL5542553 F427 7.39x38 TM7 polar (hydrogen bond with backbone)
CHEMBL5542553 F427 7.39x38 TM7 Van der Waals
CHEMBL5542553 Y431 7.43x42 TM7 aromatic (face-to-edge)
CHEMBL5542553 Y431 7.43x42 TM7 Van der Waals

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ICL1 R A L K ICL1ECL1 Y W Y F ECL1ICL2 A I E Y N L K R ICL2ECL2 S I E K K G G G G G P Q P A E P R C E I N D ECL2ICL3 R G P D A V A A P P G G T E R R P N G L G P E R S A G P G G A E A E P L P T Q L N G A P G E P A P A G P R D T D A L D L E E S S S S D H A E R P P G P R R P E R G P R G K G K A R A S Q V K P G D S L P R R G P G A T G I G T P A A G P G E E R V G A A K A S R W ICL3ECL3 C S V ECL3N-term M F R Q E Q P L A E G S F A P M G S L Q P D A G N A S W N G T E A P G G G A R A T P Y S L N-termC-term G D R K R I V C-term Q V T L T L V C L A G L L M L L T V F G N V L V I I A V F T S A P Q N L F L V S L A S A D I L V A T L V I P F S L A N E V M G G K A W C E I Y L A L D V L F C T S S I V H L C A I S L D R Y W S I T Q T P R R I K A I I I T V W V I S A V I S F P P L I Q K W Y V I S S C I G S F F A P C L I M I L V Y V R I Y Q I A K R R T R V P P S R R G R Q N R E K R F T F V L A V V I G V F V V C W F P F F F T Y T L T A V G P R T L F K F F F W F G Y C N S S L N P V I Y T I F N H D F K K F R R A I L C R
Helix box plot — Download: PNG | SVG V N G F V T L L M L L G A L C V L T L T 1 V S L A S A D I L V A L T V I P F S L A N 2 A C L H V I S S T C F L V D L A L Y I E 3 I K A I I I T V W V I S A V I S F P P L 4 Y V L I M I L C P A F F S G I C S S I V Y 5 A V V I G V F V V C W F P F F F T Y T L 6 V P N L S S N C Y G F W F F F K F L T 7

GPCRdb(A)
GPCRdb(A)
α2A-adrenoceptor
TM3
3x33 3.33x33 V129
ECL2
45x52 45.52x52 I205
TM6
6x48 6.48x48 W402
6x51 6.51x51 F405
6x52 6.52x52 F406
6x55 6.55x55 Y409
TM7
7x38 7.39x38 F427
7x42 7.43x42 Y431