PDB
8XVJ
Resolution
3.3 Å
Released
Aug. 28, 2024
Receptor
ETA
Class
A
Species
Homo sapiens
Ligand
Function
macitentan
Antagonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
macitentan D126 2.50x50 TM2 Van der Waals
macitentan Y129 2.53x53 TM2 hydrophobic
macitentan Y129 2.53x53 TM2 aromatic (face-to-face)
macitentan Q165 3.32x32 TM3 hydrophobic
macitentan Q165 3.32x32 TM3 polar (hydrogen bond)
macitentan K166 3.33x33 TM3 aromatic (pi-cation)
macitentan K166 3.33x33 TM3 hydrophobic
macitentan K166 3.33x33 TM3 polar (charge-charge)
macitentan S168 3.35x35 TM3 Van der Waals
macitentan V169 3.36x36 TM3 hydrophobic
macitentan F224 4.64x65 TM4 hydrophobic
macitentan K255 5.38x39 TM5 polar (hydrogen bond)
macitentan L259 5.42x43 TM5 Van der Waals
macitentan Y263 5.46x461 TM5 hydrophobic
macitentan W319 6.48x48 TM6 hydrophobic
macitentan W319 6.48x48 TM6 aromatic (edge-to-face)
macitentan L322 6.51x51 TM6 Van der Waals
macitentan R326 6.55x55 TM6 polar (hydrogen bond)
macitentan R326 6.55x55 TM6 polar (charge-charge)
macitentan I355 7.39x38 TM7 Van der Waals
macitentan A358 7.42x41 TM7 Van der Waals
macitentan T359 7.43x42 TM7 Van der Waals
macitentan N361 7.45x45 TM7 Van der Waals
macitentan S362 7.46x46 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 K C M R ICL1ECL1 G R W P F D H ECL1ICL2 W S R V Q G I G ICL2ECL2 V M V P F E Y R G E Q H K T C M L N A T ECL2ICL3 L R I A L ICL3ECL3 N E M D K N ECL3N-term M E T L C L R A S F W L A L V G C V I S D N P E R Y S T N L S N H V D D F T T F R G T E L S F L V T T H Q P T N L V L P S N G S M H N Y C N-termC-term C C Y Q S K S L M T S V P M N G T S I Q W K N H D Q N N H N T D R S S H K D S M N C-term P Q Q T K I T S A F K Y I N T V I S C T I F I V G M V G N A T L L R I I Y Q N N G P N A L I A S L A L G D L I Y V V I D L P I N V F K L L A N D F G V F L C K L F P F L Q K S S V G I T V L N L C A L S V D R Y R A V A S I P L V T A I E I V S I W I L S F I L A I P E A I G F S K F M E F Y Q D V K D W W L F G F Y F C M P L V C T A I F Y T L M T C E M L N R R N G S S E H L K Q R R E V A K T V F C L V V I F A L C W F P L H L S R I L K K T V Y R C E L L S F L L L M D Y I G I N L A T M N S C I N P I A L Y F V S K K F Q S F K N C C L C C
Helix box plot — Download: PNG | SVG A N G V M G V I F I T C S I V T N I Y K 1 A S L A L G D L I Y V I V D L P I N V F K 2 A C L N L V T I G V S S K Q L F P F L K 3 T A I E I V S I W I L S F I L A I P E 4 Y F I A T C V L P M C F Y F G F L W W D K 5 F C L V V I F A L C W F P L H L S R I L 6 I P N I C S N M T A L N I G I Y D M L 7

GPCRdb(A)
GPCRdb(A)
ETA receptor
TM2
2x50 2.50x50 D126
2x53 2.53x53 Y129
TM3
3x32 3.32x32 Q165
3x33 3.33x33 K166
3x35 3.35x35 S168
3x36 3.36x36 V169
TM4
4x65 4.64x65 F224
TM5
5x39 5.38x39 K255
5x43 5.42x43 L259
5x461 5.46x461 Y263
TM6
6x48 6.48x48 W319
6x51 6.51x51 L322
6x55 6.55x55 R326
TM7
7x38 7.39x38 I355
7x41 7.42x41 A358
7x42 7.43x42 T359
7x45 7.45x45 N361
7x46 7.46x46 S362