PDB
8IY6
Resolution
3.1 Å
Released
Aug. 16, 2023
Receptor
ETB
Class
A
Species
Homo sapiens
Ligand
Function
endothelin-1 (Human)
Agonist
Reference
10.7554/ELIFE.85821

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Ligand Amino Acid Generic Number Segment Interaction Type
endothelin-1 (Human) P88 N-term Van der Waals
endothelin-1 (Human) C90 N-term hydrophobic
endothelin-1 (Human) I94 N-term hydrophobic
endothelin-1 (Human) N158 2.61x60 TM2 Van der Waals
endothelin-1 (Human) K161 2.64x63 TM2 Van der Waals
endothelin-1 (Human) E165 2.68x67 TM2 hydrophobic
endothelin-1 (Human) E165 2.68x67 TM2 polar (hydrogen bond with backbone)
endothelin-1 (Human) W167 23.50x50 ECL1 hydrophobic
endothelin-1 (Human) C174 3.25x25 TM3 hydrophobic
endothelin-1 (Human) V177 3.28x28 TM3 hydrophobic
endothelin-1 (Human) Q181 3.32x32 TM3 hydrophobic
endothelin-1 (Human) Q181 3.32x32 TM3 polar (hydrogen bond)
endothelin-1 (Human) K182 3.33x33 TM3 polar (charge-charge)
endothelin-1 (Human) K182 3.33x33 TM3 hydrophobic
endothelin-1 (Human) K182 3.33x33 TM3 polar (hydrogen bond)
endothelin-1 (Human) V185 3.36x36 TM3 hydrophobic
endothelin-1 (Human) I243 ECL2 hydrophobic
endothelin-1 (Human) M245 ECL2 hydrophobic
endothelin-1 (Human) D246 ECL2 polar (hydrogen bond with backbone)
endothelin-1 (Human) Y247 ECL2 hydrophobic
endothelin-1 (Human) Y247 ECL2 aromatic (face-to-face)
endothelin-1 (Human) L252 ECL2 hydrophobic
endothelin-1 (Human) R253 ECL2 Van der Waals
endothelin-1 (Human) I254 ECL2 hydrophobic
endothelin-1 (Human) C255 45.50x50 ECL2 hydrophobic
endothelin-1 (Human) L256 45.51x51 ECL2 hydrophobic
endothelin-1 (Human) L257 45.52x52 ECL2 Van der Waals
endothelin-1 (Human) H258 ECL2 Van der Waals
endothelin-1 (Human) P259 ECL2 Van der Waals
endothelin-1 (Human) K270 5.35x36 TM5 Van der Waals
endothelin-1 (Human) K273 5.38x39 TM5 polar (charge-charge)
endothelin-1 (Human) K273 5.38x39 TM5 aromatic (pi-cation)
endothelin-1 (Human) K273 5.38x39 TM5 polar (hydrogen bond)
endothelin-1 (Human) L277 5.42x43 TM5 hydrophobic
endothelin-1 (Human) W336 6.48x48 TM6 hydrophobic
endothelin-1 (Human) L339 6.51x51 TM6 hydrophobic
endothelin-1 (Human) R343 6.55x55 TM6 polar (hydrogen bond)
endothelin-1 (Human) R343 6.55x55 TM6 polar (charge-charge)
endothelin-1 (Human) K346 6.58x58 TM6 hydrophobic
endothelin-1 (Human) Y350 6.62x62 TM6 polar (hydrogen bond)
endothelin-1 (Human) Y350 6.62x62 TM6 hydrophobic
endothelin-1 (Human) Q352 ECL3 Van der Waals
endothelin-1 (Human) R357 7.24x23 TM7 polar (hydrogen bond)
endothelin-1 (Human) R357 7.24x23 TM7 polar (charge-charge)
endothelin-1 (Human) C358 7.25x24 TM7 hydrophobic
endothelin-1 (Human) L361 7.28x27 TM7 hydrophobic
endothelin-1 (Human) L364 7.31x30 TM7 hydrophobic
endothelin-1 (Human) L365 7.32x31 TM7 hydrophobic
endothelin-1 (Human) D368 7.35x34 TM7 hydrophobic
endothelin-1 (Human) Y369 7.36x35 TM7 polar (hydrogen bond)
endothelin-1 (Human) Y369 7.36x35 TM7 hydrophobic
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
2x60 2.61x60 N158
2x63 2.64x63 K161
ECL1
23x50 23.50x50 W167
TM3
3x25 3.25x25 C174
3x28 3.28x28 V177
3x32 3.32x32 Q181
3x33 3.33x33 K182
3x36 3.36x36 V185
ECL2
45x50 45.50x50 C255
45x51 45.51x51 L256
45x52 45.52x52 L257
TM5
5x36 5.35x36 K270
5x39 5.38x39 K273
5x43 5.42x43 L277
TM6
6x48 6.48x48 W336
6x51 6.51x51 L339
6x55 6.55x55 R343
6x58 6.58x58 K346
6x62 6.62x62 Y350
TM7
7x23 7.24x23 R357
7x24 7.25x24 C358
7x27 7.28x27 L361
7x30 7.31x30 L364
7x31 7.32x31 L365
7x34 7.35x34 D368
7x35 7.36x35 Y369
7x38 7.39x38 I372