PDB
7P2L
Resolution
2.5 Å
Released
Sept. 8, 2021
Receptor
mGlu5
Class
C
Species
Homo sapiens
Ligand
Function
alloswitch-1
NAM
Reference
10.1016/J.CELREP.2021.109648

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Ligand Amino Acid Generic Number Segment Interaction Type
alloswitch-1 G624 2.45x45 TM2 Van der Waals
alloswitch-1 I625 2.46x46 TM2 Van der Waals
alloswitch-1 G628 2.49x49 TM2 Van der Waals
alloswitch-1 I651 3.36x36 TM3 hydrophobic
alloswitch-1 S654 3.39x39 TM3 Van der Waals
alloswitch-1 P655 3.40x40 TM3 hydrophobic
alloswitch-1 S658 3.43x43 TM3 Van der Waals
alloswitch-1 Y659 3.44x44 TM3 aromatic (edge-to-face)
alloswitch-1 V740 5.40x40 TM5 hydrophobic
alloswitch-1 L744 5.44x44 TM5 hydrophobic
alloswitch-1 I784 6.49x49 TM6 Van der Waals
alloswitch-1 W785 6.50x50 TM6 hydrophobic
alloswitch-1 W785 6.50x50 TM6 aromatic (face-to-face)
alloswitch-1 F788 6.53x53 TM6 Van der Waals
alloswitch-1 V789 6.54x54 TM6 hydrophobic
alloswitch-1 Y792 6.57x57 TM6 aromatic (edge-to-face)
alloswitch-1 Y792 6.57x57 TM6 hydrophobic
alloswitch-1 F793 6.58x58 TM6 hydrophobic
alloswitch-1 M802 7.32x33 TM7 hydrophobic
alloswitch-1 S805 7.35x36 TM7 Van der Waals
alloswitch-1 V806 7.36x37 TM7 hydrophobic
alloswitch-1 S809 7.39x40 TM7 polar (hydrogen bond)
alloswitch-1 A810 7.40x41 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(C)
mGlu5 receptor
TM2
2x49 2.45x45 G624
2x50 2.46x46 I625
2x53 2.49x49 G628
TM3
3x32 3.36x36 I651
3x35 3.39x39 S654
3x36 3.40x40 P655
3x39 3.43x43 S658
3x40 3.44x44 Y659
TM5
5x40 5.40x40 V740
5x44 5.44x44 L744
TM6
6x47 6.49x49 I784
6x48 6.50x50 W785
6x51 6.53x53 F788
6x52 6.54x54 V789
6x55 6.57x57 Y792
6x56 6.58x58 F793
TM7
7x38 7.32x33 M802
7x41 7.35x36 S805
7x42 7.36x37 V806
7x45 7.39x40 S809
7x46 7.40x41 A810