PDB
7SUS
Resolution
2.7 Å
Released
July 27, 2022
Receptor
apelin
Class
A
Species
Homo sapiens
Ligand
CHEMBL5812344
Function
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 I109 3.32x32 TM3 hydrophobic
CHEMBL5812344 F110 3.33x33 TM3 aromatic (edge-to-face)
CHEMBL5812344 R168 4.64x65 TM4 polar (charge-assisted hydrogen bond)
CHEMBL5812344 Y264 6.51x51 TM6 polar (hydrogen bond)
CHEMBL5812344 Y264 6.51x51 TM6 Van der Waals
CHEMBL5812344 K268 6.55x55 TM6 polar (charge-assisted hydrogen bond)
CHEMBL5812344 Y271 6.58x58 TM6 Van der Waals
CHEMBL5812344 Y271 6.58x58 TM6 aromatic (face-to-face)
CHEMBL5812344 M288 7.32x31 TM7 Van der Waals
CHEMBL5812344 F291 7.35x34 TM7 aromatic (edge-to-face)
CHEMBL5812344 F291 7.35x34 TM7 Van der Waals
CHEMBL5812344 T295 7.39x38 TM7 Van der Waals
CHEMBL5812344 S298 7.42x41 TM7 Van der Waals
CHEMBL5812344 Y299 7.43x42 TM7 hydrophobic
CHEMBL5812344 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
2x53 2.53x53 F78
2x60 2.60x60 W85
TM3
3x32 3.32x32 I109
3x33 3.33x33 F110
TM4
4x65 4.64x65 R168
TM6
6x51 6.51x51 Y264
6x55 6.55x55 K268
6x58 6.58x58 Y271
TM7
7x31 7.32x31 M288
7x34 7.35x34 F291
7x38 7.39x38 T295
7x41 7.42x41 S298
7x42 7.43x42 Y299