PDB
9LL8
Resolution
2.6 Å
Released
Jan. 14, 2026
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
psilocin
Function
Agonist
Reference
10.1038/S41586-025-10061-7

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Ligand Amino Acid Generic Number Segment Interaction Type
psilocin D155 3.32x32 TM3 polar (charge-assisted hydrogen bond)
psilocin V156 3.33x33 TM3 hydrophobic
psilocin V156 3.33x33 TM3 Van der Waals
psilocin S159 3.36x36 TM3 Van der Waals
psilocin L229 45.52x52 ECL2 Van der Waals
psilocin F234 5.38x39 TM5 hydrophobic
psilocin F234 5.38x39 TM5 Van der Waals
psilocin G238 5.42x43 TM5 Van der Waals
psilocin S239 5.43x44 TM5 Van der Waals
psilocin S242 5.46x461 TM5 polar (hydrogen bond)
psilocin W336 6.48x48 TM6 Van der Waals
psilocin F339 6.51x51 TM6 hydrophobic
psilocin F339 6.51x51 TM6 Van der Waals
psilocin F340 6.52x52 TM6 Van der Waals
psilocin F340 6.52x52 TM6 aromatic (edge-to-face)

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

GPCRdb(A)
GPCRdb(A)
5-HT2A receptor
TM3
3x32 3.32x32 D155
3x33 3.33x33 V156
3x36 3.36x36 S159
ECL2
45x52 45.52x52 L229
TM5
5x39 5.38x39 F234
5x43 5.42x43 G238
5x44 5.43x44 S239
5x461 5.46x461 S242
TM6
6x48 6.48x48 W336
6x51 6.51x51 F339
6x52 6.52x52 F340