PDB
6FFI
Resolution
2.2 Å
Released
March 7, 2018
Receptor
mGlu5
Class
C
Species
Homo sapiens
Ligand
Function
methoxy-MPEP
NAM
Reference
10.1021/ACS.JMEDCHEM.7B01722

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Ligand Amino Acid Generic Number Segment Interaction Type
methoxy-MPEP G624 2.45x45 TM2 Van der Waals
methoxy-MPEP I625 2.46x46 TM2 hydrophobic
methoxy-MPEP G628 2.49x49 TM2 Van der Waals
methoxy-MPEP S654 3.39x39 TM3 Van der Waals
methoxy-MPEP P655 3.40x40 TM3 hydrophobic
methoxy-MPEP S658 3.43x43 TM3 Van der Waals
methoxy-MPEP Y659 3.44x44 TM3 aromatic (edge-to-face)
methoxy-MPEP Y659 3.44x44 TM3 hydrophobic
methoxy-MPEP L904 5.44x44 TM5 hydrophobic
methoxy-MPEP I944 6.49x49 TM6 Van der Waals
methoxy-MPEP W945 6.50x50 TM6 hydrophobic
methoxy-MPEP W945 6.50x50 TM6 aromatic (face-to-face)
methoxy-MPEP F948 6.53x53 TM6 aromatic (edge-to-face)
methoxy-MPEP F948 6.53x53 TM6 hydrophobic
methoxy-MPEP M962 7.32x33 TM7 Van der Waals
methoxy-MPEP S965 7.35x36 TM7 Van der Waals
methoxy-MPEP V966 7.36x37 TM7 hydrophobic
methoxy-MPEP S969 7.39x40 TM7 polar (hydrogen bond)
methoxy-MPEP A970 7.40x41 TM7 hydrophobic
methoxy-MPEP A973 7.43x44 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
3x35 3.39x39 S654
3x36 3.40x40 P655
3x39 3.43x43 S658
3x40 3.44x44 Y659
TM5
5x44 5.44x44 L744
TM6
6x47 6.49x49 I784
6x48 6.50x50 W785
6x51 6.53x53 F788
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