PDB
8X0C
Resolution
3.2 Å
Released
Nov. 6, 2024
Receptor
mGlu5
Class
C
Species
Homo sapiens
Ligands
quisqualate
VU0424465
Function
Agonist
Ago-PAM
Reference
10.1038/S41467-024-55439-9
quisqualate VU0424465

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Ligand Amino Acid Generic Number Segment Interaction Type
quisqualate Y64 N-term aromatic (face-to-edge)
quisqualate Y64 N-term polar (hydrogen bond)
quisqualate Y64 N-term polar (hydrogen bond)
quisqualate Y64 N-term Van der Waals
quisqualate W100 N-term Van der Waals
quisqualate W100 N-term aromatic (edge-to-face)
quisqualate G150 N-term Van der Waals
quisqualate S151 N-term Van der Waals
quisqualate S152 N-term polar (hydrogen bond with backbone)
quisqualate S152 N-term polar (hydrogen bond)
quisqualate S173 N-term polar (hydrogen bond with backbone)
quisqualate S173 N-term Van der Waals
quisqualate T175 N-term polar (hydrogen bond)
quisqualate T175 N-term Van der Waals
quisqualate Y223 N-term hydrophobic
quisqualate Y223 N-term Van der Waals
quisqualate E279 N-term Van der Waals
quisqualate G280 N-term polar (hydrogen bond with backbone)
quisqualate G280 N-term Van der Waals
quisqualate D305 N-term polar (charge-assisted hydrogen bond)
quisqualate G306 N-term Van der Waals
quisqualate R310 N-term polar (charge-assisted hydrogen bond)
quisqualate K396 N-term polar (charge-assisted hydrogen bond)
VU0424465 G624 2.45x45 TM2 Van der Waals
VU0424465 G624 2.45x45 TM2 polar (hydrogen bond with backbone)
VU0424465 I625 2.46x46 TM2 Van der Waals
VU0424465 I625 2.46x46 TM2 polar (hydrogen bond with backbone)
VU0424465 S654 3.39x39 TM3 Van der Waals
VU0424465 S654 3.39x39 TM3 polar (hydrogen bond)
VU0424465 S654 3.39x39 TM3 polar (hydrogen bond with backbone)
VU0424465 P655 3.40x40 TM3 hydrophobic
VU0424465 P655 3.40x40 TM3 Van der Waals
VU0424465 S658 3.43x43 TM3 polar (hydrogen bond)
VU0424465 S658 3.43x43 TM3 Van der Waals
VU0424465 Y659 3.44x44 TM3 Van der Waals
VU0424465 Y659 3.44x44 TM3 hydrophobic
VU0424465 L744 5.44x44 TM5 hydrophobic
VU0424465 L744 5.44x44 TM5 Van der Waals
VU0424465 W785 6.50x50 TM6 Van der Waals
VU0424465 W785 6.50x50 TM6 polar (hydrogen bond with backbone)
VU0424465 F788 6.53x53 TM6 hydrophobic
VU0424465 F788 6.53x53 TM6 Van der Waals
VU0424465 V789 6.54x54 TM6 Van der Waals
VU0424465 V789 6.54x54 TM6 hydrophobic
VU0424465 Y792 6.57x57 TM6 Van der Waals
VU0424465 Y792 6.57x57 TM6 hydrophobic
VU0424465 M802 7.32x33 TM7 polar (hydrogen bond)
VU0424465 S805 7.35x36 TM7 polar (hydrogen bond)
VU0424465 S805 7.35x36 TM7 polar (hydrogen bond)
VU0424465 S805 7.35x36 TM7 Van der Waals
VU0424465 V806 7.36x37 TM7 hydrophobic
VU0424465 V806 7.36x37 TM7 Van der Waals
VU0424465 S809 7.39x40 TM7 Van der Waals
VU0424465 A810 7.40x41 TM7 hydrophobic
VU0424465 A810 7.40x41 TM7 Van der Waals
VU0424465 L813 7.43x44 TM7 Van der Waals
VU0424465 L813 7.43x44 TM7 hydrophobic

NGL is a WebGL based 3D viewer powered by MMTF.

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NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

Snake plot — Download: PNG | SVG
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
TM3
3x35 3.39x39 S654
3x36 3.40x40 P655
3x39 3.43x43 S658
3x40 3.44x44 Y659
TM5
5x44 5.44x44 L744
TM6
6x48 6.50x50 W785
6x51 6.53x53 F788
6x52 6.54x54 V789
6x55 6.57x57 Y792
TM7
7x38 7.32x33 M802
7x41 7.35x36 S805
7x42 7.36x37 V806
7x45 7.39x40 S809
7x46 7.40x41 A810
7x49 7.43x44 A813