PDB
9KDF
Resolution
3.3 Å
Released
May 7, 2025
Receptor
ETB
Class
A
Species
Homo sapiens
Ligand
RES-701-3
Function
Inverse agonist
Reference
10.1038/S41467-025-57960-X

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Ligand Amino Acid Generic Number Segment Interaction Type
RES-701-3 W167 23.50x50 ECL1 hydrophobic
RES-701-3 V185 3.36x36 TM3 hydrophobic
RES-701-3 I254 ECL2 hydrophobic
RES-701-3 C255 45.50x50 ECL2 polar (hydrogen bond with backbone)
RES-701-3 C255 45.50x50 ECL2 Van der Waals
RES-701-3 L256 45.51x51 ECL2 Van der Waals
RES-701-3 K273 5.38x39 TM5 polar (charge-assisted hydrogen bond)
RES-701-3 D274 5.39x40 TM5 Van der Waals
RES-701-3 L277 5.42x43 TM5 Van der Waals
RES-701-3 L277 5.42x43 TM5 hydrophobic
RES-701-3 Y281 5.46x461 TM5 aromatic (face-to-edge)
RES-701-3 W483 6.48x48 TM6 Van der Waals
RES-701-3 W483 6.48x48 TM6 aromatic (edge-to-face)
RES-701-3 L486 6.51x51 TM6 Van der Waals
RES-701-3 L486 6.51x51 TM6 hydrophobic
RES-701-3 H487 6.52x52 TM6 Van der Waals
RES-701-3 H487 6.52x52 TM6 aromatic (face-to-edge)
RES-701-3 A489 6.54x54 TM6 Van der Waals
RES-701-3 R490 6.55x55 TM6 polar (hydrogen bond with backbone)
RES-701-3 R490 6.55x55 TM6 Van der Waals
RES-701-3 K493 6.58x58 TM6 polar (charge-assisted hydrogen bond)
RES-701-3 Y497 6.62x62 TM6 aromatic (face-to-edge)
RES-701-3 Y497 6.62x62 TM6 Van der Waals
RES-701-3 L508 7.28x27 TM7 Van der Waals
RES-701-3 L508 7.28x27 TM7 hydrophobic
RES-701-3 L512 7.32x31 TM7 hydrophobic
RES-701-3 L512 7.32x31 TM7 Van der Waals
RES-701-3 D515 7.35x34 TM7 polar (charge-assisted hydrogen bond)
RES-701-3 Y516 7.36x35 TM7 aromatic (face-to-edge)
RES-701-3 Y516 7.36x35 TM7 polar (hydrogen bond)
RES-701-3 Y516 7.36x35 TM7 Van der Waals
RES-701-3 I519 7.39x38 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
ECL1
23x50 23.50x50 W167
TM3
3x36 3.36x36 V185
ECL2
45x50 45.50x50 C255
45x51 45.51x51 L256
TM5
5x39 5.38x39 K273
5x40 5.39x40 D274
5x43 5.42x43 L277
5x461 5.46x461 Y281
TM6
6x48 6.48x48 W336
6x51 6.51x51 L339
6x52 6.52x52 H340
6x54 6.54x54 S342
6x55 6.55x55 R343
6x58 6.58x58 K346
6x62 6.62x62 Y350
TM7
7x27 7.28x27 L361
7x31 7.32x31 L365
7x34 7.35x34 D368
7x35 7.36x35 Y369
7x38 7.39x38 I372