PDB
8XVI
Resolution
3.3 Å
Released
Aug. 28, 2024
Receptor
ETA
Class
A
Species
Homo sapiens
Ligand
Function
endothelin-1 (Human)
Agonist
Reference
10.1038/S41421-024-00705-9

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Ligand Amino Acid Generic Number Segment Interaction Type
endothelin-1 (Human) Y68 N-term Van der Waals
endothelin-1 (Human) C69 N-term polar (hydrogen bond with backbone)
endothelin-1 (Human) Q72 N-term Van der Waals
endothelin-1 (Human) I75 N-term hydrophobic
endothelin-1 (Human) I136 2.60x59 TM2 hydrophobic
endothelin-1 (Human) N137 2.61x60 TM2 Van der Waals
endothelin-1 (Human) K140 2.64x63 TM2 polar (hydrogen bond)
endothelin-1 (Human) G144 ECL1 Van der Waals
endothelin-1 (Human) W146 23.50x50 ECL1 hydrophobic
endothelin-1 (Human) P162 3.29x29 TM3 hydrophobic
endothelin-1 (Human) Q165 3.32x32 TM3 Van der Waals
endothelin-1 (Human) K166 3.33x33 TM3 polar (charge-charge)
endothelin-1 (Human) K166 3.33x33 TM3 aromatic (pi-cation)
endothelin-1 (Human) F224 ECL2 hydrophobic
endothelin-1 (Human) V227 ECL2 hydrophobic
endothelin-1 (Human) F229 ECL2 hydrophobic
endothelin-1 (Human) E230 ECL2 polar (hydrogen bond with backbone)
endothelin-1 (Human) Y231 ECL2 aromatic (face-to-face)
endothelin-1 (Human) Y231 ECL2 hydrophobic
endothelin-1 (Human) T238 ECL2 hydrophobic
endothelin-1 (Human) M240 45.51x51 ECL2 hydrophobic
endothelin-1 (Human) L241 45.52x52 ECL2 Van der Waals
endothelin-1 (Human) Q252 5.35x36 TM5 Van der Waals
endothelin-1 (Human) K255 5.38x39 TM5 polar (hydrogen bond)
endothelin-1 (Human) K255 5.38x39 TM5 polar (charge-charge)
endothelin-1 (Human) L322 6.51x51 TM6 Van der Waals
endothelin-1 (Human) R326 6.55x55 TM6 polar (charge-charge)
endothelin-1 (Human) R326 6.55x55 TM6 polar (hydrogen bond)
endothelin-1 (Human) K329 6.58x58 TM6 hydrophobic
endothelin-1 (Human) Y333 ECL3 polar (hydrogen bond)
endothelin-1 (Human) E335 ECL3 Van der Waals
endothelin-1 (Human) R340 7.24x23 TM7 polar (charge-charge)
endothelin-1 (Human) R340 7.24x23 TM7 polar (hydrogen bond)
endothelin-1 (Human) C341 7.25x24 TM7 hydrophobic
endothelin-1 (Human) L348 7.32x31 TM7 hydrophobic
endothelin-1 (Human) D351 7.35x34 TM7 Van der Waals
endothelin-1 (Human) Y352 7.36x35 TM7 polar (hydrogen bond)
endothelin-1 (Human) Y352 7.36x35 TM7 hydrophobic
endothelin-1 (Human) I355 7.39x38 TM7 hydrophobic

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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
2x59 2.60x59 I136
2x60 2.61x60 N137
2x63 2.64x63 K140
ECL1
23x50 23.50x50 W146
TM3
3x29 3.29x29 P162
3x32 3.32x32 Q165
3x33 3.33x33 K166
ECL2
45x51 45.51x51 M240
45x52 45.52x52 L241
TM5
5x36 5.35x36 Q252
5x39 5.38x39 K255
TM6
6x51 6.51x51 L322
6x55 6.55x55 R326
6x58 6.58x58 K329
TM7
7x23 7.24x23 R340
7x24 7.25x24 C341
7x31 7.32x31 L348
7x34 7.35x34 D351
7x35 7.36x35 Y352
7x38 7.39x38 I355