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

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Ligand Amino Acid Generic Number Segment Interaction Type
RES-701-3 K161 2.64x63 TM2 Van der Waals
RES-701-3 W167 23.50x50 ECL1 Van der Waals
RES-701-3 P178 3.29x29 TM3 hydrophobic
RES-701-3 Q181 3.32x32 TM3 Van der Waals
RES-701-3 K182 3.33x33 TM3 aromatic (pi-cation)
RES-701-3 K182 3.33x33 TM3 hydrophobic
RES-701-3 V185 3.36x36 TM3 hydrophobic
RES-701-3 F240 ECL2 hydrophobic
RES-701-3 R253 ECL2 Van der Waals
RES-701-3 I254 ECL2 Van der Waals
RES-701-3 C255 45.50x50 ECL2 hydrophobic
RES-701-3 L256 45.51x51 ECL2 Van der Waals
RES-701-3 K273 5.38x39 TM5 polar (hydrogen bond)
RES-701-3 D274 5.39x40 TM5 hydrophobic
RES-701-3 L277 5.42x43 TM5 hydrophobic
RES-701-3 Y281 5.46x461 TM5 aromatic (edge-to-face)
RES-701-3 W483 6.48x48 TM6 aromatic (edge-to-face)
RES-701-3 L486 6.51x51 TM6 hydrophobic
RES-701-3 H487 6.52x52 TM6 Van der Waals
RES-701-3 A489 6.54x54 TM6 Van der Waals
RES-701-3 R490 6.55x55 TM6 aromatic (pi-cation)
RES-701-3 R490 6.55x55 TM6 hydrophobic
RES-701-3 K493 6.58x58 TM6 aromatic (pi-cation)
RES-701-3 Y497 6.62x62 TM6 hydrophobic
RES-701-3 Y497 6.62x62 TM6 aromatic (edge-to-face)
RES-701-3 L508 7.28x27 TM7 hydrophobic
RES-701-3 L511 7.31x30 TM7 Van der Waals
RES-701-3 L512 7.32x31 TM7 hydrophobic
RES-701-3 D515 7.35x34 TM7 polar (hydrogen bond)
RES-701-3 D515 7.35x34 TM7 polar (charge-charge)
RES-701-3 Y516 7.36x35 TM7 hydrophobic
RES-701-3 Y516 7.36x35 TM7 polar (hydrogen bond)
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
TM2
2x63 2.64x63 K161
ECL1
23x50 23.50x50 W167
TM3
3x29 3.29x29 P178
3x32 3.32x32 Q181
3x33 3.33x33 K182
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
7x30 7.31x30 L364
7x31 7.32x31 L365
7x34 7.35x34 D368
7x35 7.36x35 Y369
7x38 7.39x38 I372