PDB
7W0L
Resolution
3.6 Å
Released
July 27, 2022
Receptor
apelin
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL5812344
Agonist
Reference
10.1038/S41594-022-00797-5

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5812344 F78 2.53x53 TM2 hydrophobic
CHEMBL5812344 W85 2.60x60 TM2 aromatic (edge-to-face)
CHEMBL5812344 W85 2.60x60 TM2 hydrophobic
CHEMBL5812344 S106 3.29x29 TM3 Van der Waals
CHEMBL5812344 I109 3.32x32 TM3 hydrophobic
CHEMBL5812344 F110 3.33x33 TM3 aromatic (edge-to-face)
CHEMBL5812344 M113 3.36x36 TM3 Van der Waals
CHEMBL5812344 R168 ECL2 polar (charge-charge)
CHEMBL5812344 W261 6.48x48 TM6 hydrophobic
CHEMBL5812344 Y264 6.51x51 TM6 polar (hydrogen bond)
CHEMBL5812344 K268 6.55x55 TM6 Van der Waals
CHEMBL5812344 Y271 6.58x58 TM6 hydrophobic
CHEMBL5812344 L287 7.31x30 TM7 Van der Waals
CHEMBL5812344 M288 7.32x31 TM7 hydrophobic
CHEMBL5812344 F291 7.35x34 TM7 Van der Waals
CHEMBL5812344 T295 7.39x38 TM7 hydrophobic
CHEMBL5812344 S298 7.42x41 TM7 Van der Waals
CHEMBL5812344 Y299 7.43x42 TM7 hydrophobic

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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
2x53 2.53x53 F78
2x60 2.60x60 W85
TM3
3x29 3.29x29 S106
3x32 3.32x32 I109
3x33 3.33x33 F110
3x36 3.36x36 M113
TM6
6x48 6.48x48 W261
6x51 6.51x51 Y264
6x55 6.55x55 K268
6x58 6.58x58 Y271
TM7
7x30 7.31x30 L287
7x31 7.32x31 M288
7x34 7.35x34 F291
7x38 7.39x38 T295
7x41 7.42x41 S298
7x42 7.43x42 Y299