PDB
4U16
Resolution
3.7 Å
Released
Nov. 26, 2014
Receptor
M3
Class
A
Species
Rattus norvegicus
Ligand
METHSCOPOLAMINE
Function
Antagonist
Reference
10.1016/J.STR.2014.08.022

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Ligand Amino Acid Generic Number Segment Interaction Type
METHSCOPOLAMINE D147 3.32x32 TM3 polar (hydrogen bond with backbone)
METHSCOPOLAMINE D147 3.32x32 TM3 Van der Waals
METHSCOPOLAMINE Y148 3.33x33 TM3 hydrophobic
METHSCOPOLAMINE Y148 3.33x33 TM3 Van der Waals
METHSCOPOLAMINE S151 3.36x36 TM3 Van der Waals
METHSCOPOLAMINE S151 3.36x36 TM3 polar (hydrogen bond)
METHSCOPOLAMINE W199 4.57x57 TM4 hydrophobic
METHSCOPOLAMINE W199 4.57x57 TM4 Van der Waals
METHSCOPOLAMINE A235 5.43x44 TM5 Van der Waals
METHSCOPOLAMINE A235 5.43x44 TM5 hydrophobic
METHSCOPOLAMINE A238 5.46x461 TM5 hydrophobic
METHSCOPOLAMINE A238 5.46x461 TM5 Van der Waals
METHSCOPOLAMINE W503 6.48x48 TM6 hydrophobic
METHSCOPOLAMINE W503 6.48x48 TM6 Van der Waals
METHSCOPOLAMINE Y506 6.51x51 TM6 Van der Waals
METHSCOPOLAMINE Y506 6.51x51 TM6 hydrophobic
METHSCOPOLAMINE N507 6.52x52 TM6 polar (hydrogen bond)
METHSCOPOLAMINE N507 6.52x52 TM6 polar (hydrogen bond)
METHSCOPOLAMINE Y529 7.39x38 TM7 Van der Waals
METHSCOPOLAMINE Y529 7.39x38 TM7 hydrophobic
METHSCOPOLAMINE C532 7.42x41 TM7 Van der Waals
METHSCOPOLAMINE C532 7.42x41 TM7 hydrophobic
METHSCOPOLAMINE Y533 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
M3 receptor
TM3
3x32 3.32x32 D147
3x33 3.33x33 Y148
3x36 3.36x36 S151
TM4
4x57 4.57x57 W199
TM5
5x44 5.43x44 A235
5x461 5.46x461 A238
TM6
6x48 6.48x48 W503
6x51 6.51x51 Y506
6x52 6.52x52 N507
TM7
7x38 7.39x38 Y529
7x41 7.42x41 C532
7x42 7.43x42 Y533