PDB
6OL9
Resolution
2.5 Å
Released
Dec. 11, 2019
Receptor
M5
Class
A
Species
Homo sapiens
Ligand
Function
TIOTROPIUM
Inverse agonist
Reference
10.1073/PNAS.1914446116

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Ligand Amino Acid Generic Number Segment Interaction Type
TIOTROPIUM D110 3.32x32 TM3 polar (charge-charge)
TIOTROPIUM Y111 3.33x33 TM3 hydrophobic
TIOTROPIUM Y111 3.33x33 TM3 aromatic (pi-cation)
TIOTROPIUM S114 3.36x36 TM3 Van der Waals
TIOTROPIUM N115 3.37x37 TM3 Van der Waals
TIOTROPIUM W162 4.57x57 TM4 hydrophobic
TIOTROPIUM L188 ECL2 hydrophobic
TIOTROPIUM T194 5.39x40 TM5 hydrophobic
TIOTROPIUM T197 5.42x43 TM5 hydrophobic
TIOTROPIUM A198 5.43x44 TM5 hydrophobic
TIOTROPIUM A201 5.46x461 TM5 hydrophobic
TIOTROPIUM F202 5.47x47 TM5 Van der Waals
TIOTROPIUM W455 6.48x48 TM6 hydrophobic
TIOTROPIUM W455 6.48x48 TM6 aromatic (pi-cation)
TIOTROPIUM W455 6.48x48 TM6 aromatic (edge-to-face)
TIOTROPIUM Y458 6.51x51 TM6 hydrophobic
TIOTROPIUM Y458 6.51x51 TM6 aromatic (edge-to-face)
TIOTROPIUM Y458 6.51x51 TM6 aromatic (pi-cation)
TIOTROPIUM N459 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM N459 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM Y481 7.39x38 TM7 hydrophobic
TIOTROPIUM Y481 7.39x38 TM7 aromatic (pi-cation)
TIOTROPIUM C484 7.42x41 TM7 hydrophobic
TIOTROPIUM Y485 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
M5 receptor
TM3
3x32 3.32x32 D110
3x33 3.33x33 Y111
3x36 3.36x36 S114
3x37 3.37x37 N115
TM4
4x57 4.57x57 W162
TM5
5x40 5.39x40 T194
5x43 5.42x43 T197
5x44 5.43x44 A198
5x461 5.46x461 A201
5x47 5.47x47 F202
TM6
6x48 6.48x48 W455
6x51 6.51x51 Y458
6x52 6.52x52 N459
TM7
7x38 7.39x38 Y481
7x41 7.42x41 C484
7x42 7.43x42 Y485