PDB
8XVE
Resolution
3.0 Å
Released
Aug. 28, 2024
Receptor
ETB
Class
A
Species
Homo sapiens
Ligand
BQ 3020
Function
Agonist
Reference
10.1038/S41421-024-00705-9

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Ligand Amino Acid Generic Number Segment Interaction Type
BQ 3020 I94 N-term hydrophobic
BQ 3020 K161 2.64x63 TM2 polar (charge-assisted hydrogen bond)
BQ 3020 E165 ECL1 polar (hydrogen bond with backbone)
BQ 3020 E165 ECL1 Van der Waals
BQ 3020 P178 3.29x29 TM3 hydrophobic
BQ 3020 Q181 3.32x32 TM3 Van der Waals
BQ 3020 Q181 3.32x32 TM3 polar (hydrogen bond)
BQ 3020 K182 3.33x33 TM3 polar (charge-assisted hydrogen bond)
BQ 3020 V185 3.36x36 TM3 Van der Waals
BQ 3020 V185 3.36x36 TM3 hydrophobic
BQ 3020 Y247 ECL2 polar (hydrogen bond)
BQ 3020 Y247 ECL2 Van der Waals
BQ 3020 L252 ECL2 Van der Waals
BQ 3020 L252 ECL2 hydrophobic
BQ 3020 I254 ECL2 Van der Waals
BQ 3020 I254 ECL2 hydrophobic
BQ 3020 L256 45.51x51 ECL2 Van der Waals
BQ 3020 L256 45.51x51 ECL2 hydrophobic
BQ 3020 P259 ECL2 hydrophobic
BQ 3020 P259 ECL2 Van der Waals
BQ 3020 K273 5.38x39 TM5 polar (charge-assisted hydrogen bond)
BQ 3020 L277 5.42x43 TM5 hydrophobic
BQ 3020 W336 6.48x48 TM6 hydrophobic
BQ 3020 W336 6.48x48 TM6 Van der Waals
BQ 3020 L339 6.51x51 TM6 Van der Waals
BQ 3020 L339 6.51x51 TM6 hydrophobic
BQ 3020 R343 6.55x55 TM6 polar (charge-assisted hydrogen bond)
BQ 3020 K346 6.58x58 TM6 Van der Waals
BQ 3020 Y350 ECL3 polar (hydrogen bond)
BQ 3020 Y350 ECL3 Van der Waals
BQ 3020 R357 7.24x23 TM7 Van der Waals
BQ 3020 L361 7.28x27 TM7 hydrophobic
BQ 3020 L361 7.28x27 TM7 Van der Waals
BQ 3020 L365 7.32x31 TM7 hydrophobic
BQ 3020 L365 7.32x31 TM7 Van der Waals
BQ 3020 D368 7.35x34 TM7 polar (charge-assisted hydrogen bond)
BQ 3020 Y369 7.36x35 TM7 polar (hydrogen bond)
BQ 3020 Y369 7.36x35 TM7 Van der Waals

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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
TM3
3x29 3.29x29 P178
3x32 3.32x32 Q181
3x33 3.33x33 K182
3x36 3.36x36 V185
ECL2
45x51 45.51x51 L256
TM5
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
TM7
7x23 7.24x23 R357
7x27 7.28x27 L361
7x31 7.32x31 L365
7x34 7.35x34 D368
7x35 7.36x35 Y369