PDB
4U14
Resolution
3.6 Å
Released
Nov. 26, 2014
Receptor
M3
Class
A
Species
Rattus norvegicus
Ligand
Function
TIOTROPIUM
Antagonist
Reference
10.1016/J.STR.2014.08.022

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Ligand Amino Acid Generic Number Segment Interaction Type
TIOTROPIUM I116 2.53x53 TM2 Van der Waals
TIOTROPIUM D147 3.32x32 TM3 polar (charge-charge)
TIOTROPIUM Y148 3.33x33 TM3 hydrophobic
TIOTROPIUM Y148 3.33x33 TM3 aromatic (pi-cation)
TIOTROPIUM S151 3.36x36 TM3 Van der Waals
TIOTROPIUM N152 3.37x37 TM3 Van der Waals
TIOTROPIUM W199 4.57x57 TM4 hydrophobic
TIOTROPIUM L225 ECL2 hydrophobic
TIOTROPIUM T231 5.39x40 TM5 hydrophobic
TIOTROPIUM A235 5.43x44 TM5 hydrophobic
TIOTROPIUM A238 5.46x461 TM5 hydrophobic
TIOTROPIUM F239 5.47x47 TM5 Van der Waals
TIOTROPIUM W503 6.48x48 TM6 aromatic (pi-cation)
TIOTROPIUM W503 6.48x48 TM6 hydrophobic
TIOTROPIUM Y506 6.51x51 TM6 aromatic (pi-cation)
TIOTROPIUM Y506 6.51x51 TM6 hydrophobic
TIOTROPIUM Y506 6.51x51 TM6 aromatic (edge-to-face)
TIOTROPIUM N507 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM N507 6.52x52 TM6 polar (hydrogen bond)
TIOTROPIUM Y529 7.39x38 TM7 hydrophobic
TIOTROPIUM Y529 7.39x38 TM7 aromatic (pi-cation)
TIOTROPIUM C532 7.42x41 TM7 Van der Waals
TIOTROPIUM Y533 7.43x42 TM7 Van der Waals

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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
TM2
2x53 2.53x53 I116
TM3
3x32 3.32x32 D147
3x33 3.33x33 Y148
3x36 3.36x36 S151
3x37 3.37x37 N152
TM4
4x57 4.57x57 W199
TM5
5x40 5.39x40 T231
5x44 5.43x44 A235
5x461 5.46x461 A238
5x47 5.47x47 F239
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