PDB
8IRR
Resolution
3.2 Å
Released
June 21, 2023
Receptor
D1
Class
A
Species
Homo sapiens
Ligand
Function
rotigotine
Agonist
Reference
10.1038/S41422-023-00808-0

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Ligand Amino Acid Generic Number Segment Interaction Type
rotigotine K81 2.61x60 TM2 Van der Waals
rotigotine W99 3.28x28 TM3 hydrophobic
rotigotine D103 3.32x32 TM3 polar (hydrogen bond)
rotigotine D103 3.32x32 TM3 polar (charge-charge)
rotigotine I104 3.33x33 TM3 hydrophobic
rotigotine S107 3.36x36 TM3 Van der Waals
rotigotine T108 3.37x37 TM3 Van der Waals
rotigotine S188 45.52x52 ECL2 Van der Waals
rotigotine L190 ECL2 hydrophobic
rotigotine S198 5.42x43 TM5 Van der Waals
rotigotine S202 5.46x461 TM5 Van der Waals
rotigotine W285 6.48x48 TM6 hydrophobic
rotigotine F288 6.51x51 TM6 hydrophobic
rotigotine F289 6.52x52 TM6 aromatic (edge-to-face)
rotigotine F289 6.52x52 TM6 hydrophobic
rotigotine N292 6.55x55 TM6 polar (hydrogen bond)
rotigotine F313 7.35x34 TM7 hydrophobic
rotigotine D314 7.36x35 TM7 Van der Waals
rotigotine V317 7.39x38 TM7 hydrophobic
rotigotine G320 7.42x41 TM7 Van der Waals
rotigotine W321 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
D1 receptor
TM2
2x60 2.61x60 K81
TM3
3x28 3.28x28 W99
3x32 3.32x32 D103
3x33 3.33x33 I104
3x36 3.36x36 S107
3x37 3.37x37 T108
ECL2
45x52 45.52x52 S188
TM5
5x43 5.42x43 S198
5x461 5.46x461 S202
TM6
6x48 6.48x48 W285
6x51 6.51x51 F288
6x52 6.52x52 F289
6x55 6.55x55 N292
TM7
7x34 7.35x34 F313
7x35 7.36x35 D314
7x38 7.39x38 V317
7x41 7.42x41 G320
7x42 7.43x42 W321