PDB
8FX5
Resolution
2.5 Å
Released
Sept. 13, 2023
Receptor
M4
Class
A
Species
Homo sapiens
Ligands
Function
xanomeline (R:501)
Agonist
xanomeline (R:502)
PAM
Reference
10.1038/S41467-023-41199-5
xanomeline (R:501) xanomeline (R:502)

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Ligand Amino Acid Generic Number Segment Interaction Type
xanomeline (R:502) Y89 2.61x60 TM2 polar (hydrogen bond)
xanomeline (R:502) Y89 2.61x60 TM2 hydrophobic
xanomeline (R:502) Y92 2.64x63 TM2 aromatic (edge-to-face)
xanomeline (R:501) D112 3.32x32 TM3 polar (charge-charge)
xanomeline (R:501) D112 3.32x32 TM3 polar (hydrogen bond)
xanomeline (R:501) Y113 3.33x33 TM3 hydrophobic
xanomeline (R:501) Y113 3.33x33 TM3 aromatic (pi-cation)
xanomeline (R:501) S116 3.36x36 TM3 Van der Waals
xanomeline (R:501) N117 3.37x37 TM3 hydrophobic
xanomeline (R:501) W164 4.57x57 TM4 hydrophobic
xanomeline (R:501) W164 4.57x57 TM4 aromatic (edge-to-face)
xanomeline (R:502) Q184 ECL2 Van der Waals
xanomeline (R:502) F186 45.51x51 ECL2 Van der Waals
xanomeline (R:501) F189 ECL2 hydrophobic
xanomeline (R:501) L190 ECL2 hydrophobic
xanomeline (R:501) T199 5.42x43 TM5 Van der Waals
xanomeline (R:501) A200 5.43x44 TM5 Van der Waals
xanomeline (R:501) A203 5.46x461 TM5 hydrophobic
xanomeline (R:501) W413 6.48x48 TM6 aromatic (edge-to-face)
xanomeline (R:501) W413 6.48x48 TM6 hydrophobic
xanomeline (R:501) Y416 6.51x51 TM6 aromatic (pi-cation)
xanomeline (R:501) Y416 6.51x51 TM6 hydrophobic
xanomeline (R:501) N417 6.52x52 TM6 Van der Waals
xanomeline (R:501) V420 6.55x55 TM6 hydrophobic
xanomeline (R:502) D432 7.32x31 TM7 polar (charge-charge)
xanomeline (R:502) T433 7.33x32 TM7 hydrophobic
xanomeline (R:502) W435 7.35x34 TM7 aromatic (pi-cation)
xanomeline (R:502) S436 7.36x35 TM7 Van der Waals
xanomeline (R:501) Y439 7.39x38 TM7 hydrophobic
xanomeline (R:501) C442 7.42x41 TM7 Van der Waals
xanomeline (R:501) Y443 7.43x42 TM7 aromatic (pi-cation)

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Snake plot — Download: PNG | SVG
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
2x63 2.64x63 Y92
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
5x44 5.43x44 A200
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
7x32 7.33x32 T433
7x34 7.35x34 W435
7x35 7.36x35 S436
7x38 7.39x38 Y439
7x41 7.42x41 C442
7x42 7.43x42 Y443