PDB
8W8A
Resolution
2.8 Å
Released
Nov. 22, 2023
Receptor
TA1
Class
A
Species
Homo sapiens
Ligand
CHEMBL3684869
Function
Agonist
Reference
10.1038/S41586-023-06775-1

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL3684869 D103 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL3684869 I104 3.33x33 TM3 Van der Waals
CHEMBL3684869 I104 3.33x33 TM3 hydrophobic
CHEMBL3684869 S107 3.36x36 TM3 polar (hydrogen bond)
CHEMBL3684869 V184 45.52x52 ECL2 Van der Waals
CHEMBL3684869 V184 45.52x52 ECL2 hydrophobic
CHEMBL3684869 F186 ECL2 Van der Waals
CHEMBL3684869 F186 ECL2 hydrophobic
CHEMBL3684869 S198 5.46x461 TM5 Van der Waals
CHEMBL3684869 W264 6.48x48 TM6 Van der Waals
CHEMBL3684869 W264 6.48x48 TM6 hydrophobic
CHEMBL3684869 F267 6.51x51 TM6 Van der Waals
CHEMBL3684869 F267 6.51x51 TM6 hydrophobic
CHEMBL3684869 F268 6.52x52 TM6 hydrophobic
CHEMBL3684869 F268 6.52x52 TM6 Van der Waals
CHEMBL3684869 I290 7.39x38 TM7 hydrophobic
CHEMBL3684869 I290 7.39x38 TM7 Van der Waals
CHEMBL3684869 G293 7.42x41 TM7 Van der Waals
CHEMBL3684869 Y294 7.43x42 TM7 polar (hydrogen bond with backbone)
CHEMBL3684869 Y294 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
TA1 receptor
TM3
3x32 3.32x32 D103
3x33 3.33x33 I104
3x36 3.36x36 S107
ECL2
45x52 45.52x52 V184
TM5
5x461 5.46x461 S198
TM6
6x48 6.48x48 W264
6x51 6.51x51 F267
6x52 6.52x52 F268
TM7
7x38 7.39x38 I290
7x41 7.42x41 G293
7x42 7.43x42 Y294