PDB
7RAN
Resolution
3.5 Å
Released
July 6, 2022
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL5399968
Agonist (partial)
Reference
10.1038/S41586-022-05258-Z

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5399968 D155 3.32x32 TM3 polar (charge-charge)
CHEMBL5399968 D155 3.32x32 TM3 polar (hydrogen bond)
CHEMBL5399968 V156 3.33x33 TM3 hydrophobic
CHEMBL5399968 S159 3.36x36 TM3 Van der Waals
CHEMBL5399968 G238 5.42x43 TM5 Van der Waals
CHEMBL5399968 S239 5.43x44 TM5 Van der Waals
CHEMBL5399968 S242 5.46x461 TM5 Van der Waals
CHEMBL5399968 F339 6.51x51 TM6 hydrophobic
CHEMBL5399968 F340 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL5399968 N343 6.55x55 TM6 Van der Waals
CHEMBL5399968 V366 7.39x38 TM7 Van der Waals
CHEMBL5399968 Y370 7.43x42 TM7 Van der Waals

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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
3x33 3.33x33 V156
3x36 3.36x36 S159
TM5
5x43 5.42x43 G238
5x44 5.43x44 S239
5x461 5.46x461 S242
TM6
6x51 6.51x51 F339
6x52 6.52x52 F340
6x55 6.55x55 N343
TM7
7x38 7.39x38 V366
7x42 7.43x42 Y370