PDB
8FX5
Resolution
2.5 Å
Released
Sept. 13, 2023
Receptor
M4
Class
A
Species
Homo sapiens
Ligand
xanomeline
Function
PAM
Reference
10.1038/S41467-023-41199-5

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Ligand Amino Acid Generic Number Segment Interaction Type
xanomeline Y89 2.61x60 TM2 polar (hydrogen bond)
xanomeline Y89 2.61x60 TM2 polar (hydrogen bond)
xanomeline D112 3.32x32 TM3 polar (charge-assisted hydrogen bond)
xanomeline Y113 3.33x33 TM3 polar (hydrogen bond with backbone)
xanomeline Y113 3.33x33 TM3 aromatic (face-to-face)
xanomeline Y113 3.33x33 TM3 Van der Waals
xanomeline S116 3.36x36 TM3 Van der Waals
xanomeline N117 3.37x37 TM3 Van der Waals
xanomeline W164 4.57x57 TM4 hydrophobic
xanomeline W164 4.57x57 TM4 Van der Waals
xanomeline Q184 ECL2 Van der Waals
xanomeline F186 45.51x51 ECL2 hydrophobic
xanomeline F186 45.51x51 ECL2 Van der Waals
xanomeline F189 ECL2 Van der Waals
xanomeline L190 ECL2 Van der Waals
xanomeline T199 5.42x43 TM5 Van der Waals
xanomeline A203 5.46x461 TM5 Van der Waals
xanomeline W413 6.48x48 TM6 hydrophobic
xanomeline W413 6.48x48 TM6 Van der Waals
xanomeline Y416 6.51x51 TM6 hydrophobic
xanomeline Y416 6.51x51 TM6 Van der Waals
xanomeline N417 6.52x52 TM6 Van der Waals
xanomeline V420 6.55x55 TM6 Van der Waals
xanomeline V420 6.55x55 TM6 hydrophobic
xanomeline D432 7.32x31 TM7 Van der Waals
xanomeline S436 7.36x35 TM7 Van der Waals
xanomeline Y439 7.39x38 TM7 hydrophobic
xanomeline Y439 7.39x38 TM7 Van der Waals
xanomeline C442 7.42x41 TM7 hydrophobic
xanomeline C442 7.42x41 TM7 Van der Waals
xanomeline Y443 7.43x42 TM7 Van der Waals
xanomeline Y443 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
M4 receptor
TM2
2x60 2.61x60 Y89
TM3
3x32 3.32x32 D112
3x33 3.33x33 Y113
3x36 3.36x36 S116
3x37 3.37x37 N117
TM4
4x57 4.57x57 W164
ECL2
45x51 45.51x51 F186
TM5
5x43 5.42x43 T199
5x461 5.46x461 A203
TM6
6x48 6.48x48 W413
6x51 6.51x51 Y416
6x52 6.52x52 N417
6x55 6.55x55 V420
TM7
7x31 7.32x31 D432
7x35 7.36x35 S436
7x38 7.39x38 Y439
7x41 7.42x41 C442
7x42 7.43x42 Y443