PDB
8Z7J
Resolution
3.1 Å
Released
Jan. 22, 2025
Receptor
apelin
Class
A
Species
Homo sapiens
Ligand
JN241-9
Function
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 polar (hydrogen bond with backbone)
JN241-9 C19 N-term Van der Waals
JN241-9 E20 N-term Van der Waals
JN241-9 T22 N-term Van der Waals
JN241-9 D23 N-term polar (charge-assisted hydrogen bond)
JN241-9 W85 2.60x60 TM2 aromatic (face-to-face)
JN241-9 W85 2.60x60 TM2 Van der Waals
JN241-9 Y88 2.63x63 TM2 polar (hydrogen bond)
JN241-9 Y88 2.63x63 TM2 Van der Waals
JN241-9 Y93 ECL1 polar (hydrogen bond)
JN241-9 Y93 ECL1 Van der Waals
JN241-9 Y93 ECL1 aromatic (face-to-face)
JN241-9 R168 4.64x65 TM4 Van der Waals
JN241-9 D172 ECL2 Van der Waals
JN241-9 L173 ECL2 Van der Waals
JN241-9 L173 ECL2 hydrophobic
JN241-9 E174 ECL2 polar (charge-assisted hydrogen bond)
JN241-9 Q180 ECL2 Van der Waals
JN241-9 C181 45.50x50 ECL2 Van der Waals
JN241-9 Y182 45.51x51 ECL2 Van der Waals
JN241-9 Y182 45.51x51 ECL2 hydrophobic
JN241-9 M183 45.52x52 ECL2 polar (hydrogen bond)
JN241-9 V191 ECL2 Van der Waals
JN241-9 S192 ECL2 Van der Waals
JN241-9 W195 5.32x33 TM5 hydrophobic
JN241-9 W195 5.32x33 TM5 Van der Waals
JN241-9 E198 5.35x36 TM5 Van der Waals
JN241-9 Y271 6.58x58 TM6 Van der Waals
JN241-9 Y271 6.58x58 TM6 polar (hydrogen bond)
JN241-9 G274 6.61x61 TM6 Van der Waals
JN241-9 S275 6.62x62 TM6 Van der Waals
JN241-9 D284 7.28x27 TM7 Van der Waals
JN241-9 L285 7.29x28 TM7 Van der Waals
JN241-9 L285 7.29x28 TM7 hydrophobic
JN241-9 M288 7.32x31 TM7 hydrophobic
JN241-9 M288 7.32x31 TM7 Van der Waals
JN241-9 F291 7.35x34 TM7 hydrophobic
JN241-9 F291 7.35x34 TM7 Van der Waals
JN241-9 T295 7.39x38 TM7 Van der Waals
JN241-9 Y299 7.43x42 TM7 polar (hydrogen bond)
JN241-9 Y299 7.43x42 TM7 Van der Waals

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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
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
6x58 6.58x58 Y271
6x61 6.61x61 G274
6x62 6.62x62 S275
TM7
7x27 7.28x27 D284
7x28 7.29x28 L285
7x31 7.32x31 M288
7x34 7.35x34 F291
7x38 7.39x38 T295
7x42 7.43x42 Y299