PDB
5CGD
Resolution
2.6 Å
Released
Aug. 12, 2015
Receptor
mGlu5
Class
C
Species
Homo sapiens
Ligand
Function
TMP-301
NAM
Reference
10.1021/acs.jmedchem.5b00892

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Ligand Amino Acid Generic Number Segment Interaction Type
TMP-301 G624 2.45x45 TM2 Van der Waals
TMP-301 I625 2.46x46 TM2 hydrophobic
TMP-301 G628 2.49x49 TM2 Van der Waals
TMP-301 C631 2.52x52 TM2 Van der Waals
TMP-301 G650 3.35x35 TM3 Van der Waals
TMP-301 I651 3.36x36 TM3 hydrophobic
TMP-301 S654 3.39x39 TM3 Van der Waals
TMP-301 P655 3.40x40 TM3 hydrophobic
TMP-301 S658 3.43x43 TM3 Van der Waals
TMP-301 Y659 3.44x44 TM3 aromatic (edge-to-face)
TMP-301 V740 5.40x40 TM5 Van der Waals
TMP-301 L744 5.44x44 TM5 Van der Waals
TMP-301 I784 6.49x49 TM6 hydrophobic
TMP-301 W785 6.50x50 TM6 hydrophobic
TMP-301 W785 6.50x50 TM6 aromatic (face-to-face)
TMP-301 F788 6.53x53 TM6 hydrophobic
TMP-301 F788 6.53x53 TM6 aromatic (edge-to-face)
TMP-301 M802 7.32x33 TM7 hydrophobic
TMP-301 S805 7.35x36 TM7 Van der Waals
TMP-301 V806 7.36x37 TM7 hydrophobic
TMP-301 S809 7.39x40 TM7 polar (hydrogen bond)
TMP-301 A810 7.40x41 TM7 Van der Waals
TMP-301 A813 7.43x44 TM7 Van der Waals

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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
2x56 2.52x52 C631
TM3
3x31 3.35x35 G650
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
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