PDB
8JLN
Resolution
3.2 Å
Released
Nov. 15, 2023
Receptor
TA1
Class
A
Species
Homo sapiens
Ligand
CHEMBL1182312
Function
Agonist
Reference
10.1038/S41586-023-06804-Z

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL1182312 D103 3.32x32 TM3 polar (charge-assisted hydrogen bond)
CHEMBL1182312 I104 3.33x33 TM3 hydrophobic
CHEMBL1182312 I104 3.33x33 TM3 Van der Waals
CHEMBL1182312 S107 3.36x36 TM3 Van der Waals
CHEMBL1182312 S107 3.36x36 TM3 polar (hydrogen bond)
CHEMBL1182312 S108 3.37x37 TM3 Van der Waals
CHEMBL1182312 V184 45.52x52 ECL2 Van der Waals
CHEMBL1182312 S198 5.46x461 TM5 polar (hydrogen bond)
CHEMBL1182312 W264 6.48x48 TM6 Van der Waals
CHEMBL1182312 W264 6.48x48 TM6 hydrophobic
CHEMBL1182312 F267 6.51x51 TM6 hydrophobic
CHEMBL1182312 F267 6.51x51 TM6 Van der Waals
CHEMBL1182312 F268 6.52x52 TM6 Van der Waals
CHEMBL1182312 F268 6.52x52 TM6 hydrophobic
CHEMBL1182312 I290 7.39x38 TM7 hydrophobic
CHEMBL1182312 I290 7.39x38 TM7 Van der Waals
CHEMBL1182312 Y294 7.43x42 TM7 hydrophobic
CHEMBL1182312 Y294 7.43x42 TM7 Van der Waals

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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
3x37 3.37x37 S108
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
7x42 7.43x42 Y294