Structure information

D4 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8IRU

SPECIES

Homo sapiens

RESOLUTION

3.200

PREFERRED CHAIN

R

REFERENCE

10.1038/S41422-023-00808-0

PUBLICATION DATE

June 21, 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
rotigotine F91 2.61x60 TM2 aromatic (edge-to-face)
rotigotine M112 3.29x29 TM3 polar (hydrogen bond)
rotigotine D115 3.32x32 TM3 polar (charge-assisted hydrogen bond)
rotigotine V116 3.33x33 TM3 polar (hydrogen bond with backbone)
rotigotine V116 3.33x33 TM3 Van der Waals
rotigotine C119 3.36x36 TM3 polar (hydrogen bond)
rotigotine T120 3.37x37 TM3 polar (hydrogen bond)
rotigotine C185 45.50x50 ECL2 Van der Waals
rotigotine C185 45.50x50 ECL2 polar (hydrogen bond with backbone)
rotigotine L187 45.52x52 ECL2 Van der Waals
rotigotine V193 5.39x40 TM5 Van der Waals
rotigotine S196 5.42x43 TM5 polar (hydrogen bond)
rotigotine S196 5.42x43 TM5 polar (hydrogen bond)
rotigotine S196 5.42x43 TM5 polar (hydrogen bond with backbone)
rotigotine S197 5.43x44 TM5 polar (hydrogen bond)
rotigotine S197 5.43x44 TM5 polar (hydrogen bond)
rotigotine S197 5.43x44 TM5 polar (hydrogen bond with backbone)
rotigotine S200 5.46x461 TM5 polar (hydrogen bond)
rotigotine W359 6.48x48 TM6 Van der Waals
rotigotine F362 6.51x51 TM6 Van der Waals
rotigotine F362 6.51x51 TM6 hydrophobic
rotigotine F363 6.52x52 TM6 aromatic (edge-to-face)
rotigotine F363 6.52x52 TM6 polar (hydrogen bond)
rotigotine H366 6.55x55 TM6 polar (hydrogen bond)
rotigotine H366 6.55x55 TM6 polar (hydrogen bond)
rotigotine T386 7.39x38 TM7 polar (hydrogen bond with backbone)
rotigotine T386 7.39x38 TM7 Van der Waals
rotigotine G389 7.42x41 TM7 Van der Waals
rotigotine Y390 7.43x42 TM7 polar (hydrogen bond)
rotigotine Y390 7.43x42 TM7 polar (hydrogen bond with backbone)

Ligands

rotigotine

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Residue Diagrams

S N G A L V A G I L L V G G V L A A A G 1 V S L A A A D L L L A L L V L P L F V Y S 2 A C L N F I S A T C L M V D M A M L A D 3 Q L L L I G A T W L L S A A V A A P V 4 Y L L L M L P C P L F F S C V S S Y V V Y 5 P V V V G A F L L C W T P F F V V H I T 6 V P N L A S N V Y G L W T V A S V L R 7
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ICL1 R A L Q ICL1ECL1 G A W L L ECL1ICL2 P L R Y N R Q G ICL2ECL2 L N D V R G R D P A V C R L E ECL2ICL3 L H G R A P R R P S G P G P P S P T P P A P R L P Q D P C G P D C A P P A P G L P R G P C G P D C A P A A P S L P Q D P C G P D C A P P A P G L P P D P C G S N C A P P D A V R A A A L P P Q T P P Q T R R R R R ICL3ECL3 P A C S V ECL3N-term M G N R S T A D A D G L L A G R G P A A G A S A G A S A G L N-termC-term A C C C-term A G Q G A A A L V G G V L L I G A V L A G N S L V C V S V A T E T P T N S F I V S L A A A D L L L A L L V L P L F V Y S E V Q G S P R L C D A L M A M D V M L C T A S I F N L C A I S V D R F V A V A V G S R R Q L L L I G A T W L L S A A V A A P V L C G D R D Y V V Y S S V C S F F L P C P L M L L L Y W A T F R G L Q R W E V A R R A K A K I T G R E R K A M R V L P V V V G A F L L C W T P F F V V H I T Q A L C P P R L V S A V T W L G Y V N S A L N P V I Y T V F N A E F R K F R N V A L R
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Residue Table


GPCRdb(A)
GPCRdb(A)
D4 receptor
TM2
2x60 2.61x60 F91
TM3
3x29 3.29x29 M112
3x32 3.32x32 D115
3x33 3.33x33 V116
3x36 3.36x36 C119
3x37 3.37x37 T120
ECL2
45x50 45.50x50 C185
45x52 45.52x52 L187
TM5
5x40 5.39x40 V193
5x43 5.42x43 S196
5x44 5.43x44 S197
5x461 5.46x461 S200
TM6
6x48 6.48x48 W359
6x51 6.51x51 F362
6x52 6.52x52 F363
6x55 6.55x55 H366
TM7
7x38 7.39x38 T386
7x41 7.42x41 G389
7x42 7.43x42 Y390