PDB
8FY8
Resolution
2.8 Å
Released
May 15, 2024
Receptor
5-HT1A
Class
A
Species
Homo sapiens
Ligand
Function
5-MeO-DMT
Agonist
Reference
10.1038/S41586-024-07403-2

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Ligand Amino Acid Generic Number Segment Interaction Type
5-MeO-DMT D116 3.32x32 TM3 polar (charge-charge)
5-MeO-DMT D116 3.32x32 TM3 polar (hydrogen bond)
5-MeO-DMT V117 3.33x33 TM3 hydrophobic
5-MeO-DMT C120 3.36x36 TM3 Van der Waals
5-MeO-DMT T121 3.37x37 TM3 polar (hydrogen bond)
5-MeO-DMT I189 45.52x52 ECL2 hydrophobic
5-MeO-DMT S199 5.42x43 TM5 Van der Waals
5-MeO-DMT T200 5.43x44 TM5 Van der Waals
5-MeO-DMT A203 5.46x461 TM5 hydrophobic
5-MeO-DMT W358 6.48x48 TM6 Van der Waals
5-MeO-DMT F361 6.51x51 TM6 aromatic (pi-cation)
5-MeO-DMT F361 6.51x51 TM6 hydrophobic
5-MeO-DMT F362 6.52x52 TM6 hydrophobic
5-MeO-DMT F362 6.52x52 TM6 aromatic (edge-to-face)
5-MeO-DMT A365 6.55x55 TM6 Van der Waals
5-MeO-DMT N386 7.39x38 TM7 Van der Waals
5-MeO-DMT G389 7.42x41 TM7 Van der Waals
5-MeO-DMT Y390 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
5-HT1A receptor
TM3
3x32 3.32x32 D116
3x33 3.33x33 V117
3x36 3.36x36 C120
3x37 3.37x37 T121
ECL2
45x52 45.52x52 I189
TM5
5x43 5.42x43 S199
5x44 5.43x44 T200
5x461 5.46x461 A203
TM6
6x48 6.48x48 W358
6x51 6.51x51 F361
6x52 6.52x52 F362
6x55 6.55x55 A365
TM7
7x38 7.39x38 N386
7x41 7.42x41 G389
7x42 7.43x42 Y390