PDB
7E33
Resolution
2.9 Å
Released
April 14, 2021
Receptor
5-HT1E
Class
A
Species
Homo sapiens
Ligand
BRL-54443
Function
Agonist
Reference
10.1038/S41586-021-03376-8

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Ligand Amino Acid Generic Number Segment Interaction Type
BRL-54443 D102 3.32x32 TM3 polar (charge-assisted hydrogen bond)
BRL-54443 M103 3.33x33 TM3 hydrophobic
BRL-54443 M103 3.33x33 TM3 Van der Waals
BRL-54443 C106 3.36x36 TM3 hydrophobic
BRL-54443 C106 3.36x36 TM3 Van der Waals
BRL-54443 S186 5.42x43 TM5 Van der Waals
BRL-54443 W304 6.48x48 TM6 hydrophobic
BRL-54443 W304 6.48x48 TM6 Van der Waals
BRL-54443 F307 6.51x51 TM6 Van der Waals
BRL-54443 F307 6.51x51 TM6 hydrophobic
BRL-54443 F308 6.52x52 TM6 Van der Waals
BRL-54443 F308 6.52x52 TM6 hydrophobic
BRL-54443 E311 6.55x55 TM6 polar (charge-assisted hydrogen bond)
BRL-54443 Y334 7.43x42 TM7 Van der Waals
BRL-54443 Y334 7.43x42 TM7 hydrophobic

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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
3x32 3.32x32 D102
3x33 3.33x33 M103
3x36 3.36x36 C106
TM5
5x43 5.42x43 S186
TM6
6x48 6.48x48 W304
6x51 6.51x51 F307
6x52 6.52x52 F308
6x55 6.55x55 E311
TM7
7x42 7.43x42 Y334