PDB
8UGY
Resolution
3.3 Å
Released
May 1, 2024
Receptor
5-HT1E
Class
A
Species
Homo sapiens
Ligand
CHEMBL252719
Function
Agonist
Reference
10.1126/SCIADV.ADK4855

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL252719 L99 3.29x29 TM3 hydrophobic
CHEMBL252719 D102 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL252719 M103 3.33x33 TM3 hydrophobic
CHEMBL252719 M103 3.33x33 TM3 Van der Waals
CHEMBL252719 C106 3.36x36 TM3 Van der Waals
CHEMBL252719 I175 45.52x52 ECL2 hydrophobic
CHEMBL252719 I175 45.52x52 ECL2 Van der Waals
CHEMBL252719 S186 5.42x43 TM5 Van der Waals
CHEMBL252719 A190 5.46x461 TM5 Van der Waals
CHEMBL252719 F307 6.51x51 TM6 Van der Waals
CHEMBL252719 F307 6.51x51 TM6 hydrophobic
CHEMBL252719 F308 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL252719 F308 6.52x52 TM6 Van der Waals
CHEMBL252719 E311 6.55x55 TM6 Van der Waals
CHEMBL252719 Y334 7.43x42 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
3x36 3.36x36 C106
ECL2
45x52 45.52x52 I175
TM5
5x43 5.42x43 S186
5x461 5.46x461 A190
TM6
6x51 6.51x51 F307
6x52 6.52x52 F308
6x55 6.55x55 E311
TM7
7x42 7.43x42 Y334