PDB
5DSG
Resolution
2.6 Å
Released
March 16, 2016
Receptor
M4
Class
A
Species
Homo sapiens
Ligand
TIOTROPIUM
Function
Inverse agonist
Reference
10.1038/NATURE17188

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Ligand Amino Acid Generic Number Segment Interaction Type
TIOTROPIUM Y113 3.33x33 TM3 hydrophobic
TIOTROPIUM S116 3.36x36 TM3 polar (hydrogen bond)
TIOTROPIUM S116 3.36x36 TM3 Van der Waals
TIOTROPIUM N117 3.37x37 TM3 Van der Waals
TIOTROPIUM W164 4.57x57 TM4 hydrophobic
TIOTROPIUM W164 4.57x57 TM4 Van der Waals
TIOTROPIUM T196 5.39x40 TM5 Van der Waals
TIOTROPIUM T199 5.42x43 TM5 Van der Waals
TIOTROPIUM A200 5.43x44 TM5 Van der Waals
TIOTROPIUM A203 5.46x461 TM5 Van der Waals
TIOTROPIUM W413 6.48x48 TM6 Van der Waals
TIOTROPIUM W413 6.48x48 TM6 aromatic (edge-to-face)
TIOTROPIUM Y416 6.51x51 TM6 hydrophobic
TIOTROPIUM Y416 6.51x51 TM6 Van der Waals
TIOTROPIUM N417 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM N417 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM Y439 7.39x38 TM7 Van der Waals
TIOTROPIUM Y439 7.39x38 TM7 hydrophobic
TIOTROPIUM C442 7.42x41 TM7 hydrophobic
TIOTROPIUM C442 7.42x41 TM7 Van der Waals
TIOTROPIUM Y443 7.43x42 TM7 Van der Waals
TIOTROPIUM 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
TM3
3x33 3.33x33 Y113
3x36 3.36x36 S116
3x37 3.37x37 N117
TM4
4x57 4.57x57 W164
TM5
5x40 5.39x40 T196
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
TM7
7x38 7.39x38 Y439
7x41 7.42x41 C442
7x42 7.43x42 Y443