PDB
5N2S
Resolution
3.3 Å
Released
July 26, 2017
Receptor
A1
Class
A
Species
Homo sapiens
Ligand
Function
PSB36
Antagonist
Reference
10.1016/j.str.2017.06.012

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Ligand Amino Acid Generic Number Segment Interaction Type
PSB36 I1174 2.64x63 TM2 Van der Waals
PSB36 V1192 3.32x32 TM3 Van der Waals
PSB36 L1193 3.33x33 TM3 Van der Waals
PSB36 A1196 3.36x36 TM3 hydrophobic
PSB36 F1276 45.52x52 ECL2 aromatic (face-to-face)
PSB36 F1276 45.52x52 ECL2 hydrophobic
PSB36 E1277 ECL2 hydrophobic
PSB36 M1282 5.35x37 TM5 Van der Waals
PSB36 M1285 5.38x40 TM5 Van der Waals
PSB36 N1289 5.42x43 TM5 Van der Waals
PSB36 W1352 6.48x48 TM6 hydrophobic
PSB36 L1355 6.51x51 TM6 Van der Waals
PSB36 H1356 6.52x52 TM6 Van der Waals
PSB36 L1358 6.54x54 TM6 hydrophobic
PSB36 N1359 6.55x55 TM6 polar (hydrogen bond)
PSB36 N1359 6.55x55 TM6 polar (hydrogen bond)
PSB36 T1362 6.58x58 TM6 Van der Waals
PSB36 K1370 ECL3 hydrophobic
PSB36 T1375 7.35x34 TM7 hydrophobic
PSB36 I1379 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
TM2
2x63 2.64x63 I69
TM3
3x32 3.32x32 V87
3x33 3.33x33 L88
3x36 3.36x36 T91
ECL2
45x52 45.52x52 F171
TM5
5x37 5.35x37 M177
5x40 5.38x40 M180
5x43 5.42x43 N184
TM6
6x48 6.48x48 W247
6x51 6.51x51 L250
6x52 6.52x52 H251
6x54 6.54x54 L253
6x55 6.55x55 N254
6x58 6.58x58 T257
TM7
7x34 7.35x34 T270
7x38 7.39x38 I274