PDB
5TZY
Resolution
3.2 Å
Released
June 7, 2017
Receptor
FFA1
Class
A
Species
Homo sapiens
Ligands
AP8
MK-8666
Function
Ago-PAM
Agonist (partial)
Reference
—
AP8 MK-8666

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Ligand Amino Acid Generic Number Segment Interaction Type
AP8 Y44 2.42x42 TM2 polar (hydrogen bond)
AP8 Y44 2.42x42 TM2 Van der Waals
MK-8666 P80 3.26x26 TM3 hydrophobic
MK-8666 A83 3.29x29 TM3 hydrophobic
MK-8666 V84 3.30x30 TM3 hydrophobic
MK-8666 F87 3.33x33 TM3 aromatic (face-to-edge)
MK-8666 Y91 3.37x37 TM3 Van der Waals
AP8 Y91 3.37x37 TM3 polar (hydrogen bond with backbone)
AP8 Y91 3.37x37 TM3 Van der Waals
MK-8666 Y91 3.37x37 TM3 polar (hydrogen bond)
AP8 A92 3.38x38 TM3 Van der Waals
AP8 G95 3.41x41 TM3 Van der Waals
AP8 A98 3.44x44 TM3 Van der Waals
AP8 A98 3.44x44 TM3 hydrophobic
AP8 A99 3.45x45 TM3 hydrophobic
AP8 A99 3.45x45 TM3 Van der Waals
AP8 A102 3.48x48 TM3 hydrophobic
AP8 A102 3.48x48 TM3 Van der Waals
AP8 A103 3.49x49 TM3 Van der Waals
AP8 L106 3.52x52 TM3 hydrophobic
AP8 Y114 34.53x53 ICL2 polar (hydrogen bond)
AP8 Y114 34.53x53 ICL2 Van der Waals
AP8 Y122 4.41x41 TM4 Van der Waals
AP8 S123 4.42x42 TM4 polar (hydrogen bond)
AP8 S123 4.42x42 TM4 Van der Waals
AP8 V126 4.45x45 TM4 Van der Waals
AP8 V126 4.45x45 TM4 hydrophobic
AP8 I130 4.49x49 TM4 hydrophobic
AP8 I130 4.49x49 TM4 Van der Waals
AP8 L133 4.52x52 TM4 hydrophobic
AP8 L133 4.52x52 TM4 Van der Waals
AP8 V134 4.53x53 TM4 Van der Waals
MK-8666 L135 4.54x54 TM4 Van der Waals
MK-8666 L135 4.54x54 TM4 hydrophobic
MK-8666 L138 4.57x57 TM4 hydrophobic
MK-8666 L138 4.57x57 TM4 Van der Waals
MK-8666 G139 4.58x58 TM4 Van der Waals
MK-8666 V141 4.60x60 TM4 Van der Waals
MK-8666 F142 4.61x61 TM4 Van der Waals
MK-8666 F142 4.61x61 TM4 aromatic (edge-to-face)
MK-8666 L158 ECL2 Van der Waals
MK-8666 L158 ECL2 hydrophobic
MK-8666 L171 45.51x51 ECL2 Van der Waals
MK-8666 L171 45.51x51 ECL2 hydrophobic
MK-8666 R183 5.39x40 TM5 polar (charge-assisted hydrogen bond)
MK-8666 L186 5.42x43 TM5 hydrophobic
MK-8666 L186 5.42x43 TM5 Van der Waals
AP8 L189 5.45x46 TM5 Van der Waals
AP8 L190 5.46x461 TM5 Van der Waals
AP8 L190 5.46x461 TM5 hydrophobic
AP8 L193 5.49x49 TM5 Van der Waals
AP8 P194 5.50x50 TM5 hydrophobic
AP8 P194 5.50x50 TM5 Van der Waals
AP8 I197 5.53x53 TM5 Van der Waals
AP8 I197 5.53x53 TM5 hydrophobic
MK-8666 Y2240 6.51x51 TM6 polar (hydrogen bond)
MK-8666 Y2240 6.51x51 TM6 Van der Waals
MK-8666 N2244 6.55x55 TM6 Van der Waals
MK-8666 R2258 7.35x34 TM7 polar (charge-assisted hydrogen bond)

AP8

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

GPCRdb(A)
GPCRdb(A)
FFA1 receptor
TM2
2x42 2.42x42 Y44
TM3
3x26 3.26x26 P80
3x29 3.29x29 A83
3x30 3.30x30 V84
3x33 3.33x33 F87
3x37 3.37x37 Y91
3x38 3.38x38 A92
3x41 3.41x41 G95
3x44 3.44x44 A98
3x45 3.45x45 A99
3x48 3.48x48 A102
3x49 3.49x49 G103
3x52 3.52x52 L106
ICL2
34x53 34.53x53 Y114
TM4
4x41 4.41x41 Y122
4x42 4.42x42 S123
4x45 4.45x45 V126
4x49 4.49x49 I130
4x52 4.52x52 L133
4x53 4.53x53 V134
4x54 4.54x54 L135
4x57 4.57x57 L138
4x58 4.58x58 G139
4x60 4.60x60 V141
4x61 4.61x61 F142
ECL2
45x51 45.51x51 L171
TM5
5x40 5.39x40 R183
5x43 5.42x43 L186
5x46 5.45x46 L189
5x461 5.46x461 L190
5x49 5.49x49 L193
5x50 5.50x50 P194
5x53 5.53x53 I197
TM6
6x51 6.51x51 Y240
6x55 6.55x55 N244
TM7
7x34 7.35x34 R258