Structure information

TA1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8JLR

SPECIES

Homo sapiens

RESOLUTION

3.000

PREFERRED CHAIN

R

REFERENCE

10.1038/S41586-023-06804-Z

PUBLICATION DATE

Nov. 15, 2023

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol D103 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol I104 3.33x33 TM3 hydrophobic
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol I104 3.33x33 TM3 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol S107 3.36x36 TM3 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol S108 3.37x37 TM3 polar (hydrogen bond)
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol S183 45.51x51 ECL2 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol V184 45.52x52 ECL2 hydrophobic
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol V184 45.52x52 ECL2 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol F186 ECL2 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol T194 5.42x43 TM5 polar (hydrogen bond)
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol S198 5.46x461 TM5 polar (hydrogen bond)
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol W264 6.48x48 TM6 hydrophobic
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol W264 6.48x48 TM6 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol F267 6.51x51 TM6 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol F267 6.51x51 TM6 hydrophobic
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol F268 6.52x52 TM6 hydrophobic
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol F268 6.52x52 TM6 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol I290 7.39x38 TM7 Van der Waals
(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol I290 7.39x38 TM7 hydrophobic

Ligands

(1~{S},3~{R})-3-(1-adamantyl)-1-(aminomethyl)-3,4-dihydro-1~{H}-isochromene-5,6-diol

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
TA1 receptor
TM3
3x32 3.32x32 D103
3x33 3.33x33 I104
3x36 3.36x36 S107
3x37 3.37x37 S108
ECL2
45x51 45.51x51 S183
45x52 45.52x52 V184
TM5
5x43 5.42x43 T194
5x461 5.46x461 S198
TM6
6x48 6.48x48 W264
6x51 6.51x51 F267
6x52 6.52x52 F268
TM7
7x38 7.39x38 I290