PDB
8EF5
Resolution
3.3 Å
Released
Nov. 9, 2022
Receptor
μ
Class
A
Species
Homo sapiens
Ligand
Function
fentanyl
Agonist
Reference
10.1016/J.CELL.2022.09.041

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Ligand Amino Acid Generic Number Segment Interaction Type
fentanyl T122 2.56x56 TM2 Van der Waals
fentanyl Q126 2.60x60 TM2 hydrophobic
fentanyl N129 2.63x63 TM2 Van der Waals
fentanyl W135 23.50x50 ECL1 aromatic (edge-to-face)
fentanyl W135 23.50x50 ECL1 hydrophobic
fentanyl V145 3.28x28 TM3 hydrophobic
fentanyl I146 3.29x29 TM3 hydrophobic
fentanyl D149 3.32x32 TM3 polar (hydrogen bond)
fentanyl D149 3.32x32 TM3 polar (charge-charge)
fentanyl Y150 3.33x33 TM3 hydrophobic
fentanyl M153 3.36x36 TM3 hydrophobic
fentanyl C219 45.50x50 ECL2 hydrophobic
fentanyl W295 6.48x48 TM6 hydrophobic
fentanyl I298 6.51x51 TM6 hydrophobic
fentanyl H299 6.52x52 TM6 Van der Waals
fentanyl V302 6.55x55 TM6 hydrophobic
fentanyl I324 7.39x38 TM7 Van der Waals
fentanyl G327 7.42x41 TM7 Van der Waals
fentanyl Y328 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
μ receptor
TM2
2x56 2.56x56 T122
2x60 2.60x60 Q126
2x63 2.63x63 N129
ECL1
23x50 23.50x50 W135
TM3
3x28 3.28x28 V145
3x29 3.29x29 I146
3x32 3.32x32 D149
3x33 3.33x33 Y150
3x36 3.36x36 M153
ECL2
45x50 45.50x50 C219
TM6
6x48 6.48x48 W295
6x51 6.51x51 I298
6x52 6.52x52 H299
6x55 6.55x55 V302
TM7
7x38 7.39x38 I324
7x41 7.42x41 G327
7x42 7.43x42 Y328