PDB
8UH3
Resolution
3.3 Å
Released
May 1, 2024
Receptor
5-HT1E
Class
A
Species
Homo sapiens
Ligand
SETIPTILINE
Function
Agonist
Reference
10.1126/SCIADV.ADK4855

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Ligand Amino Acid Generic Number Segment Interaction Type
SETIPTILINE L99 3.29x29 TM3 hydrophobic
SETIPTILINE D102 3.32x32 TM3 polar (charge-assisted hydrogen bond)
SETIPTILINE M103 3.33x33 TM3 hydrophobic
SETIPTILINE M103 3.33x33 TM3 Van der Waals
SETIPTILINE T107 3.37x37 TM3 Van der Waals
SETIPTILINE I175 45.52x52 ECL2 hydrophobic
SETIPTILINE I175 45.52x52 ECL2 Van der Waals
SETIPTILINE A190 5.46x461 TM5 Van der Waals
SETIPTILINE W304 6.48x48 TM6 hydrophobic
SETIPTILINE W304 6.48x48 TM6 Van der Waals
SETIPTILINE F307 6.51x51 TM6 Van der Waals
SETIPTILINE F307 6.51x51 TM6 hydrophobic
SETIPTILINE F308 6.52x52 TM6 aromatic (edge-to-face)
SETIPTILINE F308 6.52x52 TM6 Van der Waals
SETIPTILINE E311 6.55x55 TM6 Van der Waals
SETIPTILINE T330 7.39x38 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
5-HT1E receptor
TM3
3x29 3.29x29 L99
3x32 3.32x32 D102
3x33 3.33x33 M103
3x37 3.37x37 T107
ECL2
45x52 45.52x52 I175
TM5
5x461 5.46x461 A190
TM6
6x48 6.48x48 W304
6x51 6.51x51 F307
6x52 6.52x52 F308
6x55 6.55x55 E311
TM7
7x38 7.39x38 T330