Structure information

FFA1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

5KW2

SPECIES

Homo sapiens

RESOLUTION

2.760

PREFERRED CHAIN

A

REFERENCE

10.1038/S41467-017-01240-W

PUBLICATION DATE

May 2, 2018

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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
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y44 2.42x42 TM2 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y44 2.42x42 TM2 polar (hydrogen bond)
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid G95 3.41x41 TM3 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A99 3.45x45 TM3 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A99 3.45x45 TM3 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A102 3.48x48 TM3 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A102 3.48x48 TM3 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A103 3.49x49 TM3 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A103 3.49x49 TM3 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L106 3.52x52 TM3 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L106 3.52x52 TM3 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y114 34.53x53 ICL2 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y114 34.53x53 ICL2 polar (hydrogen bond)
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y122 4.41x41 TM4 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid Y122 4.41x41 TM4 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid S123 4.42x42 TM4 polar (hydrogen bond)
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid S123 4.42x42 TM4 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid V126 4.45x45 TM4 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid V126 4.45x45 TM4 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid A129 4.48x48 TM4 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid I130 4.49x49 TM4 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid I130 4.49x49 TM4 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L133 4.52x52 TM4 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L133 4.52x52 TM4 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L189 5.45x46 TM5 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L190 5.46x461 TM5 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid L193 5.49x49 TM5 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid P194 5.50x50 TM5 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid P194 5.50x50 TM5 hydrophobic
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid I197 5.53x53 TM5 Van der Waals
(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid I197 5.53x53 TM5 hydrophobic

Ligands

(3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
FFA1 receptor
TM2
2x42 2.42x42 Y44
TM3
3x41 3.41x41 G95
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
4x48 4.48x48 A129
4x49 4.49x49 I130
4x52 4.52x52 L133
TM5
5x46 5.45x46 L189
5x461 5.46x461 L190
5x49 5.49x49 L193
5x50 5.50x50 P194
5x53 5.53x53 I197