PDB
7VOE
Resolution
2.9 Å
Released
Dec. 22, 2021
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
Function
aripiprazole
Agonist (partial)
Reference
10.1038/S41593-021-00971-W

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Ligand Amino Acid Generic Number Segment Interaction Type
aripiprazole W151 3.28x28 TM3 hydrophobic
aripiprazole I152 3.29x29 TM3 Van der Waals
aripiprazole D155 3.32x32 TM3 Van der Waals
aripiprazole V156 3.33x33 TM3 Van der Waals
aripiprazole S159 3.36x36 TM3 Van der Waals
aripiprazole I163 3.40x40 TM3 Van der Waals
aripiprazole C227 45.50x50 ECL2 Van der Waals
aripiprazole L228 45.51x51 ECL2 hydrophobic
aripiprazole L229 45.52x52 ECL2 Van der Waals
aripiprazole F243 5.47x47 TM5 hydrophobic
aripiprazole L247 5.51x51 TM5 hydrophobic
aripiprazole F332 6.44x44 TM6 aromatic (edge-to-face)
aripiprazole F332 6.44x44 TM6 hydrophobic
aripiprazole V333 6.45x45 TM6 Van der Waals
aripiprazole W336 6.48x48 TM6 hydrophobic
aripiprazole C337 6.49x49 TM6 polar (hydrogen bond)
aripiprazole F339 6.51x51 TM6 hydrophobic
aripiprazole F340 6.52x52 TM6 hydrophobic
aripiprazole N363 7.36x35 TM7 Van der Waals
aripiprazole V366 7.39x38 TM7 hydrophobic
aripiprazole 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
3x28 3.28x28 W151
3x29 3.29x29 I152
3x32 3.32x32 D155
3x33 3.33x33 V156
3x36 3.36x36 S159
3x40 3.40x40 I163
ECL2
45x50 45.50x50 C227
45x51 45.51x51 L228
45x52 45.52x52 L229
TM5
5x47 5.47x47 F243
5x51 5.51x51 L247
TM6
6x44 6.44x44 F332
6x45 6.45x45 V333
6x48 6.48x48 W336
6x49 6.49x49 C337
6x51 6.51x51 F339
6x52 6.52x52 F340
TM7
7x35 7.36x35 N363
7x38 7.39x38 V366
7x42 7.43x42 Y370