Structure information

5-HT2A receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8V6U

SPECIES

Homo sapiens

RESOLUTION

3.000

PREFERRED CHAIN

A

PUBLICATION DATE

May 29, 2024

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol D155 3.32x32 TM3 polar (charge-assisted hydrogen bond)
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol V156 3.33x33 TM3 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol V156 3.33x33 TM3 hydrophobic
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol S159 3.36x36 TM3 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol L228 45.51x51 ECL2 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol L228 45.51x51 ECL2 hydrophobic
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol G238 5.42x43 TM5 polar (hydrogen bond with backbone)
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol G238 5.42x43 TM5 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol S242 5.46x461 TM5 polar (hydrogen bond)
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol F339 6.51x51 TM6 aromatic (edge-to-face)
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol F339 6.51x51 TM6 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol F340 6.52x52 TM6 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol F340 6.52x52 TM6 aromatic (edge-to-face)
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol V366 7.39x38 TM7 hydrophobic
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol V366 7.39x38 TM7 Van der Waals
4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol Y370 7.43x42 TM7 Van der Waals

Ligands

4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
5-HT2A receptor
TM3
3x32 3.32x32 D155
3x33 3.33x33 V156
3x36 3.36x36 S159
ECL2
45x51 45.51x51 L228
TM5
5x43 5.42x43 G238
5x461 5.46x461 S242
TM6
6x51 6.51x51 F339
6x52 6.52x52 F340
TM7
7x38 7.39x38 V366
7x42 7.43x42 Y370