PDB
9LLF
Resolution
2.6 Å
Released
March 4, 2026
Receptor
D1
Class
A
Species
Homo sapiens
Ligands
Function
De novo designed GPCR exoframe modulator (GEM)
PAM
dopamine
Agonist
Reference
—
De novo designed GPCR exoframe modulator (GEM) dopamine

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Ligand Amino Acid Generic Number Segment Interaction Type
dopamine D103 3.32x32 TM3 polar (charge-charge)
dopamine D103 3.32x32 TM3 polar (hydrogen bond)
dopamine I104 3.33x33 TM3 hydrophobic
dopamine S107 3.36x36 TM3 Van der Waals
dopamine T108 3.37x37 TM3 Van der Waals
De novo designed GPCR exoframe modulator (GEM) L112 3.41x41 TM3 hydrophobic
De novo designed GPCR exoframe modulator (GEM) C115 3.44x44 TM3 Van der Waals
De novo designed GPCR exoframe modulator (GEM) V116 3.45x45 TM3 hydrophobic
De novo designed GPCR exoframe modulator (GEM) V119 3.48x48 TM3 Van der Waals
De novo designed GPCR exoframe modulator (GEM) Y122 3.51x51 TM3 hydrophobic
De novo designed GPCR exoframe modulator (GEM) W123 3.52x52 TM3 hydrophobic
De novo designed GPCR exoframe modulator (GEM) R130 34.52x52 ICL2 polar (charge-charge)
De novo designed GPCR exoframe modulator (GEM) R133 34.55x55 ICL2 polar (charge-charge)
De novo designed GPCR exoframe modulator (GEM) K134 34.56x56 ICL2 polar (hydrogen bond)
De novo designed GPCR exoframe modulator (GEM) K134 34.56x56 ICL2 polar (hydrogen bond with backbone)
De novo designed GPCR exoframe modulator (GEM) K134 34.56x56 ICL2 polar (charge-charge)
De novo designed GPCR exoframe modulator (GEM) K134 34.56x56 ICL2 hydrophobic
De novo designed GPCR exoframe modulator (GEM) T136 4.38x38 TM4 polar (hydrogen bond)
De novo designed GPCR exoframe modulator (GEM) K138 4.40x40 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) A139 4.41x41 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) I142 4.44x44 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) L143 4.45x45 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) S145 4.47x47 TM4 Van der Waals
De novo designed GPCR exoframe modulator (GEM) V146 4.48x48 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) T149 4.51x51 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) L150 4.52x52 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) V152 4.54x54 TM4 Van der Waals
De novo designed GPCR exoframe modulator (GEM) L153 4.55x55 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) I157 4.59x59 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) P158 4.60x60 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) Q160 4.62x62 TM4 polar (hydrogen bond)
De novo designed GPCR exoframe modulator (GEM) Q160 4.62x62 TM4 hydrophobic
De novo designed GPCR exoframe modulator (GEM) L161 4.63x63 TM4 hydrophobic
dopamine L190 ECL2 Van der Waals
De novo designed GPCR exoframe modulator (GEM) S191 5.35x36 TM5 polar (hydrogen bond)
De novo designed GPCR exoframe modulator (GEM) T193 5.37x38 TM5 hydrophobic
De novo designed GPCR exoframe modulator (GEM) Y194 5.38x39 TM5 hydrophobic
De novo designed GPCR exoframe modulator (GEM) S197 5.41x42 TM5 Van der Waals
dopamine S198 5.42x43 TM5 polar (hydrogen bond)
dopamine S199 5.43x44 TM5 Van der Waals
De novo designed GPCR exoframe modulator (GEM) I201 5.45x46 TM5 polar (hydrogen bond with backbone)
De novo designed GPCR exoframe modulator (GEM) I201 5.45x46 TM5 hydrophobic
dopamine S202 5.46x461 TM5 polar (hydrogen bond)
De novo designed GPCR exoframe modulator (GEM) I205 5.49x49 TM5 hydrophobic
De novo designed GPCR exoframe modulator (GEM) P206 5.50x50 TM5 Van der Waals
De novo designed GPCR exoframe modulator (GEM) I209 5.53x53 TM5 Van der Waals
De novo designed GPCR exoframe modulator (GEM) V212 5.56x56 TM5 hydrophobic
De novo designed GPCR exoframe modulator (GEM) T213 5.57x57 TM5 Van der Waals
De novo designed GPCR exoframe modulator (GEM) R216 5.60x60 TM5 Van der Waals
dopamine W285 6.48x48 TM6 Van der Waals
dopamine F288 6.51x51 TM6 hydrophobic
dopamine F288 6.51x51 TM6 aromatic (edge-to-face)
dopamine F289 6.52x52 TM6 aromatic (edge-to-face)
dopamine F289 6.52x52 TM6 hydrophobic
dopamine N292 6.55x55 TM6 Van der Waals
dopamine V317 7.39x38 TM7 Van der Waals
dopamine W321 7.43x42 TM7 Van der Waals

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Download PDB file

Snake plot — Download: PNG | SVG
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
TM3
3x32 3.32x32 D103
3x33 3.33x33 I104
3x36 3.36x36 S107
3x37 3.37x37 T108
3x41 3.41x41 L112
3x44 3.44x44 C115
3x45 3.45x45 V116
3x48 3.48x48 V119
3x51 3.51x51 Y122
3x52 3.52x52 W123
ICL2
34x52 34.52x52 R130
34x55 34.55x55 R133
34x56 34.56x56 K134
TM4
4x38 4.38x38 T136
4x40 4.40x40 K138
4x41 4.41x41 A139
4x44 4.44x44 I142
4x45 4.45x45 L143
4x47 4.47x47 S145
4x48 4.48x48 V146
4x51 4.51x51 T149
4x52 4.52x52 L150
4x54 4.54x54 V152
4x55 4.55x55 L153
4x59 4.59x59 I157
4x60 4.60x60 P158
4x62 4.62x62 Q160
4x63 4.63x63 L161
TM5
5x36 5.35x36 S191
5x38 5.37x38 T193
5x39 5.38x39 Y194
5x42 5.41x42 S197
5x43 5.42x43 S198
5x44 5.43x44 S199
5x46 5.45x46 I201
5x461 5.46x461 S202
5x49 5.49x49 I205
5x50 5.50x50 P206
5x53 5.53x53 I209
5x56 5.56x56 V212
5x57 5.57x57 T213
5x60 5.60x60 R216
TM6
6x48 6.48x48 W285
6x51 6.51x51 F288
6x52 6.52x52 F289
6x55 6.55x55 N292
TM7
7x38 7.39x38 V317
7x42 7.43x42 W321