PDB
9U81
Resolution
3.1 Å
Released
Dec. 10, 2025
Receptor
V2
Class
A
Species
Homo sapiens
Ligand
Tolvaptan
Function
Antagonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
Tolvaptan Q92 2.57x56 TM2 polar (hydrogen bond with backbone)
Tolvaptan Q92 2.57x56 TM2 polar (hydrogen bond)
Tolvaptan V93 2.58x57 TM2 Van der Waals
Tolvaptan V93 2.58x57 TM2 polar (hydrogen bond with backbone)
Tolvaptan Q96 2.61x60 TM2 polar (hydrogen bond)
Tolvaptan K116 3.29x29 TM3 polar (hydrogen bond with backbone)
Tolvaptan K116 3.29x29 TM3 polar (charge-assisted hydrogen bond)
Tolvaptan Q119 3.32x32 TM3 polar (hydrogen bond)
Tolvaptan M120 3.33x33 TM3 Van der Waals
Tolvaptan M120 3.33x33 TM3 polar (hydrogen bond with backbone)
Tolvaptan M123 3.36x36 TM3 polar (hydrogen bond)
Tolvaptan Q174 4.60x61 TM4 polar (hydrogen bond)
Tolvaptan Q174 4.60x61 TM4 polar (hydrogen bond)
Tolvaptan F178 4.64x65 TM4 polar (hydrogen bond)
Tolvaptan F196 ECL2 Van der Waals
Tolvaptan R202 5.35x36 TM5 Van der Waals
Tolvaptan Y205 5.38x39 TM5 hydrophobic
Tolvaptan Y205 5.38x39 TM5 Van der Waals
Tolvaptan V206 5.39x40 TM5 hydrophobic
Tolvaptan V206 5.39x40 TM5 Van der Waals
Tolvaptan I209 5.42x43 TM5 hydrophobic
Tolvaptan I209 5.42x43 TM5 Van der Waals
Tolvaptan W284 6.48x48 TM6 Van der Waals
Tolvaptan F287 6.51x51 TM6 hydrophobic
Tolvaptan F287 6.51x51 TM6 Van der Waals
Tolvaptan F288 6.52x52 TM6 Van der Waals
Tolvaptan Q291 6.55x55 TM6 polar (hydrogen bond)
Tolvaptan Q291 6.55x55 TM6 polar (hydrogen bond)
Tolvaptan M311 7.39x38 TM7 polar (hydrogen bond)
Tolvaptan M311 7.39x38 TM7 polar (hydrogen bond with backbone)
Tolvaptan A314 7.42x41 TM7 Van der Waals
Tolvaptan S315 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
V2 receptor
TM2
2x56 2.57x56 Q92
2x57 2.58x57 V93
2x60 2.61x60 Q96
TM3
3x29 3.29x29 K116
3x32 3.32x32 Q119
3x33 3.33x33 M120
3x36 3.36x36 M123
TM4
4x61 4.60x61 Q174
4x65 4.64x65 F178
TM5
5x36 5.35x36 R202
5x39 5.38x39 Y205
5x40 5.39x40 V206
5x43 5.42x43 I209
TM6
6x48 6.48x48 W284
6x51 6.51x51 F287
6x52 6.52x52 F288
6x55 6.55x55 Q291
TM7
7x38 7.39x38 M311
7x41 7.42x41 A314
7x42 7.43x42 S315