PDB
7E9G
Resolution
3.5 Å
Released
June 23, 2021
Receptor
mGlu2
Class
C
Species
Homo sapiens
Ligands
eglumegad
DN13
JNJ-40411813
Function
Agonist
PAM
PAM
Reference
10.1038/S41586-021-03495-2
eglumegad DN13 JNJ-40411813

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Ligand Amino Acid Generic Number Segment Interaction Type
eglumegad R57 N-term polar (charge-assisted hydrogen bond)
eglumegad R61 N-term polar (charge-assisted hydrogen bond)
eglumegad S143 N-term Van der Waals
eglumegad S143 N-term polar (hydrogen bond with backbone)
eglumegad Y144 N-term hydrophobic
eglumegad Y144 N-term Van der Waals
eglumegad S145 N-term polar (hydrogen bond with backbone)
eglumegad S145 N-term polar (hydrogen bond)
eglumegad S145 N-term Van der Waals
eglumegad A166 N-term polar (hydrogen bond with backbone)
eglumegad A166 N-term Van der Waals
eglumegad S167 N-term Van der Waals
eglumegad T168 N-term polar (hydrogen bond with backbone)
eglumegad T168 N-term polar (hydrogen bond)
DN13 F189 N-term polar (hydrogen bond with backbone)
DN13 F189 N-term Van der Waals
DN13 F190 N-term Van der Waals
DN13 F190 N-term hydrophobic
DN13 K193 N-term Van der Waals
eglumegad Y216 N-term Van der Waals
eglumegad Y216 N-term polar (hydrogen bond)
DN13 E222 N-term Van der Waals
DN13 A223 N-term hydrophobic
DN13 A223 N-term Van der Waals
DN13 L226 N-term hydrophobic
DN13 L226 N-term Van der Waals
DN13 E227 N-term polar (charge-assisted hydrogen bond)
eglumegad R271 N-term Van der Waals
eglumegad D295 N-term Van der Waals
eglumegad G296 N-term Van der Waals
eglumegad K377 N-term polar (charge-assisted hydrogen bond)
DN13 R445 N-term polar (charge-assisted hydrogen bond)
DN13 R445 N-term polar (hydrogen bond with backbone)
DN13 F446 N-term hydrophobic
DN13 F446 N-term Van der Waals
DN13 D448 N-term polar (charge-assisted hydrogen bond)
JNJ-40411813 F643 3.40x40 TM3 hydrophobic
JNJ-40411813 Y647 3.44x44 TM3 Van der Waals
JNJ-40411813 Y647 3.44x44 TM3 polar (hydrogen bond)
JNJ-40411813 M728 5.40x40 TM5 hydrophobic
JNJ-40411813 M728 5.40x40 TM5 Van der Waals
JNJ-40411813 L732 5.44x44 TM5 Van der Waals
JNJ-40411813 L732 5.44x44 TM5 hydrophobic
JNJ-40411813 N735 5.47x47 TM5 polar (hydrogen bond)
JNJ-40411813 N735 5.47x47 TM5 Van der Waals
JNJ-40411813 W773 6.50x50 TM6 hydrophobic
JNJ-40411813 W773 6.50x50 TM6 Van der Waals
JNJ-40411813 L777 6.54x54 TM6 hydrophobic
JNJ-40411813 L777 6.54x54 TM6 Van der Waals
JNJ-40411813 F780 6.57x57 TM6 Van der Waals
JNJ-40411813 F780 6.57x57 TM6 aromatic (edge-to-face)
JNJ-40411813 S784 6.61x61 TM6 Van der Waals

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

Download PDB file

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

Download PDB file

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

Download PDB file

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

GPCRdb(A)
GPCRdb(C)
mGlu2 receptor
TM3
3x36 3.40x40 F643
3x40 3.44x44 Y647
TM5
5x40 5.40x40 M728
5x44 5.44x44 L732
5x47 5.47x47 N735
TM6
6x48 6.50x50 W773
6x52 6.54x54 L777
6x55 6.57x57 F780
6x59 6.61x61 S784