PDB
8Z7J
Resolution
3.1 Å
Released
Jan. 22, 2025
Receptor
apelin
Class
A
Species
Homo sapiens
Ligand
Function
JN241-9
Agonist
Reference
10.1038/S41467-024-55555-6

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Ligand Amino Acid Generic Number Segment Interaction Type
JN241-9 C19 N-term hydrophobic
JN241-9 C19 N-term polar (hydrogen bond with backbone)
JN241-9 E20 N-term Van der Waals
JN241-9 Y21 N-term Van der Waals
JN241-9 T22 N-term Van der Waals
JN241-9 D23 N-term polar (charge-charge)
JN241-9 W85 2.60x60 TM2 hydrophobic
JN241-9 W85 2.60x60 TM2 aromatic (face-to-face)
JN241-9 Y88 2.63x63 TM2 Van der Waals
JN241-9 Y93 ECL1 hydrophobic
JN241-9 I109 3.32x32 TM3 hydrophobic
JN241-9 F110 3.33x33 TM3 Van der Waals
JN241-9 R168 4.64x65 TM4 polar (charge-charge)
JN241-9 D172 ECL2 Van der Waals
JN241-9 L173 ECL2 hydrophobic
JN241-9 E174 ECL2 polar (charge-charge)
JN241-9 E174 ECL2 polar (hydrogen bond)
JN241-9 E174 ECL2 hydrophobic
JN241-9 T176 ECL2 Van der Waals
JN241-9 Q180 ECL2 hydrophobic
JN241-9 C181 45.50x50 ECL2 Van der Waals
JN241-9 Y182 45.51x51 ECL2 Van der Waals
JN241-9 M183 45.52x52 ECL2 Van der Waals
JN241-9 S186 ECL2 Van der Waals
JN241-9 V191 ECL2 hydrophobic
JN241-9 S192 ECL2 Van der Waals
JN241-9 W195 5.32x33 TM5 Van der Waals
JN241-9 E198 5.35x36 TM5 Van der Waals
JN241-9 K268 6.55x55 TM6 Van der Waals
JN241-9 Y271 6.58x58 TM6 hydrophobic
JN241-9 Y271 6.58x58 TM6 polar (hydrogen bond)
JN241-9 M272 6.59x59 TM6 Van der Waals
JN241-9 G274 6.61x61 TM6 Van der Waals
JN241-9 S275 6.62x62 TM6 Van der Waals
JN241-9 H278 ECL3 Van der Waals
JN241-9 W279 ECL3 Van der Waals
JN241-9 C281 7.25x24 TM7 hydrophobic
JN241-9 D284 7.28x27 TM7 Van der Waals
JN241-9 L285 7.29x28 TM7 hydrophobic
JN241-9 M288 7.32x31 TM7 hydrophobic
JN241-9 F291 7.35x34 TM7 hydrophobic
JN241-9 T295 7.39x38 TM7 hydrophobic
JN241-9 Y299 7.43x42 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
apelin receptor
TM2
2x60 2.60x60 W85
2x63 2.63x63 Y88
TM3
3x32 3.32x32 I109
3x33 3.33x33 F110
TM4
4x65 4.64x65 R168
ECL2
45x50 45.50x50 C181
45x51 45.51x51 Y182
45x52 45.52x52 M183
TM5
5x33 5.32x33 W195
5x36 5.35x36 E198
TM6
6x55 6.55x55 K268
6x58 6.58x58 Y271
6x59 6.59x59 M272
6x61 6.61x61 G274
6x62 6.62x62 S275
TM7
7x24 7.25x24 C281
7x27 7.28x27 D284
7x28 7.29x28 L285
7x31 7.32x31 M288
7x34 7.35x34 F291
7x38 7.39x38 T295
7x42 7.43x42 Y299