PDB
5CXV
Resolution
2.7 Å
Released
March 9, 2016
Receptor
M1
Class
A
Species
Homo sapiens
Ligand
Function
TIOTROPIUM
Inverse agonist
Reference
10.1038/NATURE17188

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Ligand Amino Acid Generic Number Segment Interaction Type
TIOTROPIUM D105 3.32x32 TM3 polar (charge-charge)
TIOTROPIUM Y106 3.33x33 TM3 aromatic (pi-cation)
TIOTROPIUM Y106 3.33x33 TM3 aromatic (edge-to-face)
TIOTROPIUM Y106 3.33x33 TM3 hydrophobic
TIOTROPIUM S109 3.36x36 TM3 Van der Waals
TIOTROPIUM Q110 3.37x37 TM3 hydrophobic
TIOTROPIUM W157 4.57x57 TM4 hydrophobic
TIOTROPIUM W157 4.57x57 TM4 aromatic (edge-to-face)
TIOTROPIUM L183 ECL2 Van der Waals
TIOTROPIUM T189 5.39x40 TM5 Van der Waals
TIOTROPIUM T192 5.42x43 TM5 Van der Waals
TIOTROPIUM A193 5.43x44 TM5 hydrophobic
TIOTROPIUM A196 5.46x461 TM5 hydrophobic
TIOTROPIUM F197 5.47x47 TM5 Van der Waals
TIOTROPIUM W378 6.48x48 TM6 aromatic (pi-cation)
TIOTROPIUM W378 6.48x48 TM6 aromatic (edge-to-face)
TIOTROPIUM W378 6.48x48 TM6 hydrophobic
TIOTROPIUM Y381 6.51x51 TM6 aromatic (pi-cation)
TIOTROPIUM Y381 6.51x51 TM6 hydrophobic
TIOTROPIUM N382 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM N382 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM Y404 7.39x38 TM7 hydrophobic
TIOTROPIUM Y404 7.39x38 TM7 aromatic (pi-cation)
TIOTROPIUM C407 7.42x41 TM7 hydrophobic
TIOTROPIUM Y408 7.43x42 TM7 Van der Waals

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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
TM3
3x32 3.32x32 D105
3x33 3.33x33 Y106
3x36 3.36x36 S109
3x37 3.37x37 N110
TM4
4x57 4.57x57 W157
TM5
5x40 5.39x40 T189
5x43 5.42x43 T192
5x44 5.43x44 A193
5x461 5.46x461 A196
5x47 5.47x47 F197
TM6
6x48 6.48x48 W378
6x51 6.51x51 Y381
6x52 6.52x52 N382
TM7
7x38 7.39x38 Y404
7x41 7.42x41 C407
7x42 7.43x42 Y408