PDB
7WC6
Resolution
2.6 Å
Released
Jan. 26, 2022
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
Function
(+)-LSD
Agonist
Reference
10.1126/SCIENCE.ABL8615

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Ligand Amino Acid Generic Number Segment Interaction Type
(+)-LSD S131 2.61x60 TM2 Van der Waals
(+)-LSD W151 3.28x28 TM3 hydrophobic
(+)-LSD I152 3.29x29 TM3 hydrophobic
(+)-LSD D155 3.32x32 TM3 hydrophobic
(+)-LSD D155 3.32x32 TM3 polar (hydrogen bond)
(+)-LSD D155 3.32x32 TM3 polar (charge-charge)
(+)-LSD V156 3.33x33 TM3 hydrophobic
(+)-LSD S159 3.36x36 TM3 Van der Waals
(+)-LSD L229 45.52x52 ECL2 hydrophobic
(+)-LSD V235 5.39x40 TM5 hydrophobic
(+)-LSD G238 5.42x43 TM5 polar (hydrogen bond with backbone)
(+)-LSD S239 5.43x44 TM5 Van der Waals
(+)-LSD S242 5.46x461 TM5 Van der Waals
(+)-LSD W336 6.48x48 TM6 Van der Waals
(+)-LSD F339 6.51x51 TM6 hydrophobic
(+)-LSD F340 6.52x52 TM6 hydrophobic
(+)-LSD F340 6.52x52 TM6 aromatic (edge-to-face)
(+)-LSD N343 6.55x55 TM6 Van der Waals
(+)-LSD V366 7.39x38 TM7 hydrophobic
(+)-LSD 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
TM2
2x60 2.61x60 S131
TM3
3x28 3.28x28 W151
3x29 3.29x29 I152
3x32 3.32x32 D155
3x33 3.33x33 V156
3x36 3.36x36 S159
ECL2
45x52 45.52x52 L229
TM5
5x40 5.39x40 V235
5x43 5.42x43 G238
5x44 5.43x44 S239
5x461 5.46x461 S242
TM6
6x48 6.48x48 W336
6x51 6.51x51 F339
6x52 6.52x52 F340
6x55 6.55x55 N343
TM7
7x38 7.39x38 V366
7x42 7.43x42 Y370