PDB
7LD3
Resolution
3.2 Å
Released
Sept. 8, 2021
Receptor
A1
Class
A
Species
Homo sapiens
Ligands
MIPS521
adenosine
Function
PAM
Agonist
Reference
10.1038/S41586-021-03897-2
MIPS521 adenosine

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Ligand Amino Acid Generic Number Segment Interaction Type
MIPS521 L18 1.41x41 TM1 hydrophobic
MIPS521 I19 1.42x42 TM1 hydrophobic
adenosine V87 3.32x32 TM3 hydrophobic
adenosine F171 45.52x52 ECL2 aromatic (face-to-face)
adenosine E172 ECL2 polar (charge-assisted hydrogen bond)
adenosine M180 5.38x40 TM5 Van der Waals
MIPS521 S246 6.47x47 TM6 Van der Waals
MIPS521 S246 6.47x47 TM6 polar (hydrogen bond)
adenosine W247 6.48x48 TM6 Van der Waals
adenosine L250 6.51x51 TM6 Van der Waals
adenosine L250 6.51x51 TM6 hydrophobic
adenosine N254 6.55x55 TM6 polar (hydrogen bond)
adenosine N254 6.55x55 TM6 Van der Waals
adenosine N254 6.55x55 TM6 polar (hydrogen bond)
adenosine I274 7.39x38 TM7 Van der Waals
MIPS521 F275 7.40x39 TM7 polar (hydrogen bond with backbone)
MIPS521 F275 7.40x39 TM7 Van der Waals
MIPS521 L276 7.41x40 TM7 polar (hydrogen bond with backbone)
MIPS521 L276 7.41x40 TM7 Van der Waals
adenosine T277 7.42x41 TM7 Van der Waals
adenosine H278 7.43x42 TM7 polar (hydrogen bond)
adenosine H278 7.43x42 TM7 Van der Waals
MIPS521 G279 7.44x43 TM7 polar (hydrogen bond with backbone)
MIPS521 G279 7.44x43 TM7 Van der Waals
MIPS521 N280 7.45x45 TM7 polar (hydrogen bond with backbone)
MIPS521 N280 7.45x45 TM7 Van der Waals
MIPS521 A282 7.47x47 TM7 Van der Waals
MIPS521 M283 7.48x48 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
A1 receptor
TM1
1x41 1.41x41 L18
1x42 1.42x42 I19
TM3
3x32 3.32x32 V87
ECL2
45x52 45.52x52 F171
TM5
5x40 5.38x40 M180
TM6
6x47 6.47x47 S246
6x48 6.48x48 W247
6x51 6.51x51 L250
6x55 6.55x55 N254
TM7
7x38 7.39x38 I274
7x39 7.40x39 F275
7x40 7.41x40 L276
7x41 7.42x41 T277
7x42 7.43x42 H278
7x43 7.44x43 G279
7x45 7.45x45 N280
7x47 7.47x47 A282
7x48 7.48x48 M283