PDB
6ZG4
Resolution
2.3 Å
Released
Oct. 6, 2021
Receptor
M1
Class
A
Species
Homo sapiens
Ligand
HTL-9936
Function
Agonist (partial)
Reference
10.1016/J.CELL.2021.11.001

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Ligand Amino Acid Generic Number Segment Interaction Type
HTL-9936 L81 2.60x59 TM2 hydrophobic
HTL-9936 Y82 2.61x60 TM2 hydrophobic
HTL-9936 Y85 2.64x63 TM2 hydrophobic
HTL-9936 W91 23.50x50 ECL1 hydrophobic
HTL-9936 A101 3.28x28 TM3 hydrophobic
HTL-9936 L102 3.29x29 TM3 hydrophobic
HTL-9936 D105 3.32x32 TM3 polar (charge-assisted hydrogen bond)
HTL-9936 Y106 3.33x33 TM3 hydrophobic
HTL-9936 Y106 3.33x33 TM3 Van der Waals
HTL-9936 S109 3.36x36 TM3 Van der Waals
HTL-9936 N110 3.37x37 TM3 Van der Waals
HTL-9936 W157 4.57x57 TM4 Van der Waals
HTL-9936 C178 45.50x50 ECL2 Van der Waals
HTL-9936 T196 5.46x461 TM5 Van der Waals
HTL-9936 W378 6.48x48 TM6 hydrophobic
HTL-9936 W378 6.48x48 TM6 Van der Waals
HTL-9936 Y381 6.51x51 TM6 hydrophobic
HTL-9936 Y381 6.51x51 TM6 Van der Waals
HTL-9936 Y404 7.39x38 TM7 hydrophobic
HTL-9936 Y404 7.39x38 TM7 Van der Waals
HTL-9936 Y408 7.43x42 TM7 Van der Waals
HTL-9936 Y408 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
M1 receptor
TM2
2x59 2.60x59 L81
2x60 2.61x60 Y82
2x63 2.64x63 Y85
ECL1
23x50 23.50x50 W91
TM3
3x28 3.28x28 W101
3x29 3.29x29 L102
3x32 3.32x32 D105
3x33 3.33x33 Y106
3x36 3.36x36 S109
3x37 3.37x37 N110
TM4
4x57 4.57x57 W157
ECL2
45x50 45.50x50 C178
TM5
5x461 5.46x461 A196
TM6
6x48 6.48x48 W378
6x51 6.51x51 Y381
TM7
7x38 7.39x38 Y404
7x42 7.43x42 Y408