PDB
6WIV
Resolution
3.3 Å
Released
July 1, 2020
Receptor
GABAB1
Class
C
Species
Homo sapiens
Ligands
Function
Phosphatidylethanolamine PE 38:5
NAM
Calcium
PAM
Reference
10.1038/S41586-020-2452-0
Phosphatidylethanolamine PE 38:5 Calcium

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Ligand Amino Acid Generic Number Segment Interaction Type
Calcium G277 N-term metal coordination
Calcium D281 N-term polar (charge-charge)
Calcium E309 N-term polar (charge-charge)
Calcium Y430 N-term aromatic (pi-cation)
Phosphatidylethanolamine PE 38:5 T516 2.42x42 TM2 hydrophobic
Phosphatidylethanolamine PE 38:5 C520 2.46x46 TM2 Van der Waals
Phosphatidylethanolamine PE 38:5 A523 2.49x49 TM2 hydrophobic
Phosphatidylethanolamine PE 38:5 L530 2.56x56 TM2 hydrophobic
Phosphatidylethanolamine PE 38:5 G531 2.57x57 TM2 Van der Waals
Phosphatidylethanolamine PE 38:5 R549 3.32x32 TM3 polar (hydrogen bond)
Phosphatidylethanolamine PE 38:5 R549 3.32x32 TM3 polar (charge-charge)
Phosphatidylethanolamine PE 38:5 L550 3.33x33 TM3 hydrophobic
Phosphatidylethanolamine PE 38:5 L553 3.36x36 TM3 hydrophobic
Phosphatidylethanolamine PE 38:5 G554 3.37x37 TM3 Van der Waals
Phosphatidylethanolamine PE 38:5 F557 3.40x40 TM3 hydrophobic
Phosphatidylethanolamine PE 38:5 G560 3.43x43 TM3 Van der Waals
Phosphatidylethanolamine PE 38:5 M564 3.47x47 TM3 hydrophobic
Phosphatidylethanolamine PE 38:5 W611 4.50x50 TM4 Van der Waals
Phosphatidylethanolamine PE 38:5 E642 ECL2 Van der Waals
Phosphatidylethanolamine PE 38:5 H643 ECL2 polar (hydrogen bond)
Phosphatidylethanolamine PE 38:5 H643 ECL2 polar (charge-charge)
Phosphatidylethanolamine PE 38:5 C644 45.50x50 ECL2 Van der Waals
Phosphatidylethanolamine PE 38:5 M649 5.36x36 TM5 Van der Waals
Phosphatidylethanolamine PE 38:5 F656 5.43x43 TM5 hydrophobic
Phosphatidylethanolamine PE 38:5 Y657 5.44x44 TM5 hydrophobic
Phosphatidylethanolamine PE 38:5 K660 5.47x47 TM5 hydrophobic
Phosphatidylethanolamine PE 38:5 G661 5.48x48 TM5 Van der Waals
Phosphatidylethanolamine PE 38:5 C699 6.50x50 TM6 hydrophobic
Phosphatidylethanolamine PE 38:5 L700 6.51x51 TM6 hydrophobic
Phosphatidylethanolamine PE 38:5 T702 6.53x53 TM6 hydrophobic
Phosphatidylethanolamine PE 38:5 A703 6.54x54 TM6 hydrophobic
Phosphatidylethanolamine PE 38:5 T706 6.57x57 TM6 Van der Waals
Phosphatidylethanolamine PE 38:5 A723 7.35x36 TM7 Van der Waals
Phosphatidylethanolamine PE 38:5 I724 7.36x37 TM7 hydrophobic
Phosphatidylethanolamine PE 38:5 S727 7.39x40 TM7 Van der Waals
Phosphatidylethanolamine PE 38:5 T731 7.43x44 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(C)
GABAB1
TM2
2x46 2.42x42 T633
2x50 2.46x46 C637
2x53 2.49x49 A640
2x60 2.56x56 L647
2x61 2.57x57 G648
TM3
3x28 3.32x32 R666
3x29 3.33x33 L667
3x32 3.36x36 L670
3x33 3.37x37 G671
3x36 3.40x40 F674
3x39 3.43x43 G677
3x43 3.47x47 M681
TM4
4x60 4.50x50 W728
ECL2
45x50 45.50x50 C761
TM5
5x36 5.36x36 M766
5x43 5.43x43 F773
5x44 5.44x44 Y774
5x47 5.47x47 K777
5x48 5.48x48 G778
TM6
6x48 6.50x50 C816
6x49 6.51x51 L817
6x51 6.53x53 T819
6x52 6.54x54 A820
6x55 6.57x57 T823
TM7
7x41 7.35x36 A840
7x42 7.36x37 I841
7x45 7.39x40 S844
7x49 7.43x44 T848