PDB
4OR2
Resolution
2.8 Å
Released
March 19, 2014
Receptor
mGlu1
Class
C
Species
Homo sapiens
Ligand
FITM
Function
NAM
Reference
10.1126/science.1249489

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Ligand Amino Acid Generic Number Segment Interaction Type
FITM V664 3.36x36 TM3 hydrophobic
FITM V753 5.40x40 TM5 hydrophobic
FITM P756 5.43x43 TM5 hydrophobic
FITM L757 5.44x44 TM5 hydrophobic
FITM T794 6.46x46 TM6 Van der Waals
FITM T794 6.46x46 TM6 polar (hydrogen bond with backbone)
FITM I797 6.49x49 TM6 Van der Waals
FITM I797 6.49x49 TM6 hydrophobic
FITM W798 6.50x50 TM6 polar (hydrogen bond with backbone)
FITM W798 6.50x50 TM6 Van der Waals
FITM F801 6.53x53 TM6 Van der Waals
FITM F801 6.53x53 TM6 aromatic (face-to-edge)
FITM Y805 6.57x57 TM6 Van der Waals
FITM Y805 6.57x57 TM6 hydrophobic
FITM K811 7.28x29 TM7 Van der Waals
FITM I812 7.29x30 TM7 hydrophobic
FITM I812 7.29x30 TM7 Van der Waals
FITM T815 7.32x33 TM7 polar (hydrogen bond)
FITM T815 7.32x33 TM7 Van der Waals
FITM A818 7.35x36 TM7 hydrophobic
FITM A818 7.35x36 TM7 Van der Waals
FITM S822 7.39x40 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(C)
mGlu1 receptor
TM3
3x32 3.36x36 V664
TM5
5x40 5.40x40 V753
5x43 5.43x43 P756
5x44 5.44x44 L757
TM6
6x44 6.46x46 T794
6x47 6.49x49 I797
6x48 6.50x50 W798
6x51 6.53x53 F801
6x55 6.57x57 Y805
TM7
7x34 7.28x29 K811
7x35 7.29x30 I812
7x38 7.32x33 T815
7x41 7.35x36 A818
7x45 7.39x40 S822