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

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Ligand Amino Acid Generic Number Segment Interaction Type
endothelin-1 (Human) P87 N-term hydrophobic
endothelin-1 (Human) I94 N-term hydrophobic
endothelin-1 (Human) K161 2.64x63 TM2 polar (charge-assisted hydrogen bond)
endothelin-1 (Human) E165 2.68x67 TM2 Van der Waals
endothelin-1 (Human) W167 23.50x50 ECL1 hydrophobic
endothelin-1 (Human) Q181 3.32x32 TM3 polar (hydrogen bond)
endothelin-1 (Human) Q181 3.32x32 TM3 Van der Waals
endothelin-1 (Human) I243 ECL2 Van der Waals
endothelin-1 (Human) I243 ECL2 hydrophobic
endothelin-1 (Human) M245 ECL2 hydrophobic
endothelin-1 (Human) M245 ECL2 Van der Waals
endothelin-1 (Human) D246 ECL2 Van der Waals
endothelin-1 (Human) Y247 ECL2 polar (hydrogen bond)
endothelin-1 (Human) Y247 ECL2 Van der Waals
endothelin-1 (Human) K248 ECL2 Van der Waals
endothelin-1 (Human) L252 ECL2 Van der Waals
endothelin-1 (Human) I254 ECL2 Van der Waals
endothelin-1 (Human) I254 ECL2 hydrophobic
endothelin-1 (Human) L256 45.51x51 ECL2 Van der Waals
endothelin-1 (Human) L257 45.52x52 ECL2 Van der Waals
endothelin-1 (Human) L257 45.52x52 ECL2 polar (hydrogen bond with backbone)
endothelin-1 (Human) P259 ECL2 hydrophobic
endothelin-1 (Human) P259 ECL2 Van der Waals
endothelin-1 (Human) K270 5.35x36 TM5 polar (charge-assisted hydrogen bond)
endothelin-1 (Human) K273 5.38x39 TM5 Van der Waals
endothelin-1 (Human) R343 6.55x55 TM6 polar (charge-assisted hydrogen bond)
endothelin-1 (Human) Y350 ECL3 Van der Waals
endothelin-1 (Human) R357 7.24x23 TM7 polar (charge-assisted hydrogen bond)
endothelin-1 (Human) L361 7.28x27 TM7 hydrophobic
endothelin-1 (Human) L361 7.28x27 TM7 Van der Waals
endothelin-1 (Human) L364 7.31x30 TM7 Van der Waals
endothelin-1 (Human) L365 7.32x31 TM7 hydrophobic
endothelin-1 (Human) L365 7.32x31 TM7 Van der Waals
endothelin-1 (Human) D368 7.35x34 TM7 polar (charge-assisted hydrogen bond)
endothelin-1 (Human) Y369 7.36x35 TM7 hydrophobic
endothelin-1 (Human) Y369 7.36x35 TM7 Van der Waals
endothelin-1 (Human) I372 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
ETB receptor
TM2
2x63 2.64x63 K161
ECL1
23x50 23.50x50 W167
TM3
3x32 3.32x32 Q181
ECL2
45x51 45.51x51 L256
45x52 45.52x52 L257
TM5
5x36 5.35x36 K270
5x39 5.38x39 K273
TM6
6x55 6.55x55 R343
TM7
7x23 7.24x23 R357
7x27 7.28x27 L361
7x30 7.31x30 L364
7x31 7.32x31 L365
7x34 7.35x34 D368
7x35 7.36x35 Y369
7x38 7.39x38 I372