PDB
6KUY
Resolution
3.2 Å
Released
Dec. 4, 2019
Receptor
α2A
Class
A
Species
Homo sapiens
Ligand
Function
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole
Agonist (partial)
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole D113 3.32x32 TM3 hydrophobic
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole D113 3.32x32 TM3 polar (hydrogen bond)
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole V114 3.33x33 TM3 hydrophobic
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole F116 3.35x35 TM3 Van der Waals
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole C117 3.36x36 TM3 Van der Waals
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole I190 45.52x52 ECL2 Van der Waals
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole S204 5.46x461 TM5 Van der Waals
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole W387 6.48x48 TM6 aromatic (edge-to-face)
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole W387 6.48x48 TM6 hydrophobic
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole F390 6.51x51 TM6 hydrophobic
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole F390 6.51x51 TM6 aromatic (edge-to-face)
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole F391 6.52x52 TM6 hydrophobic
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole Y394 6.55x55 TM6 Van der Waals
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole F412 7.39x38 TM7 aromatic (face-to-face)
(2S)-4-fluoro-2-(1H-imidazol-5-yl)-1-(propan-2-yl)-2,3-dihydro-1H-indole Y416 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
3x32 3.32x32 D128
3x33 3.33x33 V129
3x35 3.35x35 F131
3x36 3.36x36 C132
ECL2
45x52 45.52x52 I205
TM5
5x461 5.46x461 S219
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