PDB
6WH4
Resolution
3.4 Å
Released
Sept. 23, 2020
Receptor
5-HT2A
Class
A
Species
Homo sapiens
Ligand
CHEMBL428892
Function
Inverse agonist
Reference
10.1016/J.CELL.2020.08.024

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL428892 W151 3.28x28 TM3 hydrophobic
CHEMBL428892 D155 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL428892 V156 3.33x33 TM3 hydrophobic
CHEMBL428892 V156 3.33x33 TM3 Van der Waals
CHEMBL428892 S159 3.36x36 TM3 Van der Waals
CHEMBL428892 T160 3.37x37 TM3 Van der Waals
CHEMBL428892 I163 3.40x40 TM3 Van der Waals
CHEMBL428892 I163 3.40x40 TM3 hydrophobic
CHEMBL428892 L229 45.52x52 ECL2 Van der Waals
CHEMBL428892 L229 45.52x52 ECL2 hydrophobic
CHEMBL428892 V235 5.39x40 TM5 Van der Waals
CHEMBL428892 G238 5.42x43 TM5 Van der Waals
CHEMBL428892 W336 6.48x48 TM6 aromatic (face-to-edge)
CHEMBL428892 W336 6.48x48 TM6 Van der Waals
CHEMBL428892 F339 6.51x51 TM6 hydrophobic
CHEMBL428892 F339 6.51x51 TM6 Van der Waals
CHEMBL428892 F340 6.52x52 TM6 Van der Waals
CHEMBL428892 F340 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL428892 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
3x32 3.32x32 D155
3x33 3.33x33 V156
3x36 3.36x36 S159
3x37 3.37x37 T160
3x40 3.40x40 I163
ECL2
45x52 45.52x52 L229
TM5
5x40 5.39x40 V235
5x43 5.42x43 G238
TM6
6x48 6.48x48 W336
6x51 6.51x51 F339
6x52 6.52x52 F340
TM7
7x42 7.43x42 Y370