PDB
5WIU
Resolution
2.0 Å
Released
Oct. 18, 2017
Receptor
D4
Class
A
Species
Homo sapiens
Ligand
nemonapride
Function
Antagonist
Reference
10.1126/science.aan5468

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Ligand Amino Acid Generic Number Segment Interaction Type
nemonapride L90 2.60x59 TM2 hydrophobic
nemonapride F91 2.61x60 TM2 aromatic (edge-to-face)
nemonapride L111 3.28x28 TM3 hydrophobic
nemonapride D115 3.32x32 TM3 polar (charge-assisted hydrogen bond)
nemonapride V116 3.33x33 TM3 Van der Waals
nemonapride V116 3.33x33 TM3 hydrophobic
nemonapride C119 3.36x36 TM3 Van der Waals
nemonapride C119 3.36x36 TM3 hydrophobic
nemonapride L187 45.52x52 ECL2 hydrophobic
nemonapride L187 45.52x52 ECL2 Van der Waals
nemonapride V193 5.39x40 TM5 hydrophobic
nemonapride V193 5.39x40 TM5 Van der Waals
nemonapride S196 5.42x43 TM5 polar (hydrogen bond)
nemonapride S197 5.43x44 TM5 Van der Waals
nemonapride S200 5.46x461 TM5 Van der Waals
nemonapride F410 6.51x51 TM6 aromatic (edge-to-face)
nemonapride F410 6.51x51 TM6 Van der Waals
nemonapride F411 6.52x52 TM6 hydrophobic
nemonapride F411 6.52x52 TM6 Van der Waals
nemonapride H414 6.55x55 TM6 Van der Waals
nemonapride T434 7.39x38 TM7 Van der Waals
nemonapride Y438 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
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
Helix box plot — Download: PNG | SVG 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

GPCRdb(A)
GPCRdb(A)
D4 receptor
TM2
2x59 2.60x59 L90
2x60 2.61x60 F91
TM3
3x28 3.28x28 L111
3x32 3.32x32 D115
3x33 3.33x33 V116
3x36 3.36x36 C119
ECL2
45x52 45.52x52 L187
TM5
5x40 5.39x40 V193
5x43 5.42x43 S196
5x44 5.43x44 S197
5x461 5.46x461 S200
TM6
6x51 6.51x51 F362
6x52 6.52x52 F363
6x55 6.55x55 H366
TM7
7x38 7.39x38 T386
7x42 7.43x42 Y390