PDB
Resolution
3.2 Å
Released
March 1, 2017
Receptor
Class
A
Species
Homo sapiens
Ligand
DU172
Function
Antagonist

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Ligand Amino Acid Generic Number Segment Interaction Type
DU172 Y12 1.35x35 TM1 polar (hydrogen bond)
DU172 N70 2.65x64 TM2 Van der Waals
DU172 V87 3.32x32 TM3 hydrophobic
DU172 L88 3.33x33 TM3 hydrophobic
DU172 L88 3.33x33 TM3 Van der Waals
DU172 T91 3.36x36 TM3 Van der Waals
DU172 F171 45.52x52 ECL2 Van der Waals
DU172 F171 45.52x52 ECL2 hydrophobic
DU172 E172 ECL2 Van der Waals
DU172 M180 5.38x40 TM5 polar (hydrogen bond)
DU172 W247 6.48x48 TM6 hydrophobic
DU172 W247 6.48x48 TM6 Van der Waals
DU172 L250 6.51x51 TM6 hydrophobic
DU172 L250 6.51x51 TM6 Van der Waals
DU172 L253 6.54x54 TM6 hydrophobic
DU172 N254 6.55x55 TM6 polar (hydrogen bond)
DU172 N254 6.55x55 TM6 polar (hydrogen bond)
DU172 N254 6.55x55 TM6 Van der Waals
DU172 Y271 7.36x35 TM7 polar (hydrogen bond)
DU172 Y271 7.36x35 TM7 polar (hydrogen bond)
DU172 I274 7.39x38 TM7 Van der Waals
DU172 I274 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
A1 receptor
TM1
1x35 1.35x35 Y12
TM2
2x64 2.65x64 N70
TM3
3x32 3.32x32 V87
3x33 3.33x33 L88
3x36 3.36x36 T91
ECL2
45x52 45.52x52 F171
TM5
5x40 5.38x40 M180
TM6
6x48 6.48x48 W247
6x51 6.51x51 L250
6x54 6.54x54 L253
6x55 6.55x55 N254
TM7
7x35 7.36x35 Y271
7x38 7.39x38 I274