PDB
6WHA
Resolution
3.4 Å
Released
Sept. 23, 2020
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
CHEMBL5184791
Function
Agonist
Reference
10.1016/J.CELL.2020.08.024

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5184791 D155 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL5184791 S159 3.36x36 TM3 polar (hydrogen bond)
CHEMBL5184791 S159 3.36x36 TM3 polar (hydrogen bond)
CHEMBL5184791 V235 5.39x40 TM5 Van der Waals
CHEMBL5184791 W336 6.48x48 TM6 aromatic (face-to-edge)
CHEMBL5184791 W336 6.48x48 TM6 Van der Waals
CHEMBL5184791 F339 6.51x51 TM6 Van der Waals
CHEMBL5184791 F339 6.51x51 TM6 hydrophobic
CHEMBL5184791 F340 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL5184791 F340 6.52x52 TM6 Van der Waals
CHEMBL5184791 V366 7.39x38 TM7 hydrophobic
CHEMBL5184791 G369 7.42x41 TM7 Van der Waals
CHEMBL5184791 Y370 7.43x42 TM7 Van der Waals
CHEMBL5184791 Y370 7.43x42 TM7 hydrophobic

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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
3x36 3.36x36 S159
TM5
5x40 5.39x40 V235
TM6
6x48 6.48x48 W336
6x51 6.51x51 F339
6x52 6.52x52 F340
TM7
7x38 7.39x38 V366
7x41 7.42x41 G369
7x42 7.43x42 Y370