PDB
4NTJ
Resolution
2.6 Å
Released
March 26, 2014
Receptor
P2Y12
Class
A
Species
Homo sapiens
Ligand
Function
AZD1283
Antagonist
Reference
10.1038/NATURE13083

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Ligand Amino Acid Generic Number Segment Interaction Type
AZD1283 V102 3.30x30 TM3 hydrophobic
AZD1283 Y105 3.33x33 TM3 aromatic (face-to-face)
AZD1283 Y105 3.33x33 TM3 hydrophobic
AZD1283 F106 3.34x34 TM3 Van der Waals
AZD1283 Y109 3.37x37 TM3 Van der Waals
AZD1283 M152 4.53x53 TM4 Van der Waals
AZD1283 L155 4.56x56 TM4 hydrophobic
AZD1283 S156 4.57x57 TM4 Van der Waals
AZD1283 N159 4.60x60 TM4 Van der Waals
AZD1283 H187 5.36x36 TM5 Van der Waals
AZD1283 V190 5.39x39 TM5 hydrophobic
AZD1283 N191 5.40x40 TM5 Van der Waals
AZD1283 C194 5.43x43 TM5 Van der Waals
AZD1283 Q195 5.44x44 TM5 Van der Waals
AZD1283 F252 6.51x51 TM6 hydrophobic
AZD1283 F252 6.51x51 TM6 aromatic (edge-to-face)
AZD1283 A255 6.54x54 TM6 Van der Waals
AZD1283 R256 6.55x55 TM6 polar (hydrogen bond)
AZD1283 R256 6.55x55 TM6 hydrophobic
AZD1283 Y259 6.58x58 TM6 hydrophobic
AZD1283 L276 7.31x30 TM7 hydrophobic
AZD1283 V279 7.34x33 TM7 Van der Waals
AZD1283 K280 7.35x34 TM7 polar (charge-charge)
AZD1283 K280 7.35x34 TM7 hydrophobic
AZD1283 K280 7.35x34 TM7 polar (hydrogen bond)
AZD1283 T283 7.38x37 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
P2Y12 receptor
TM3
3x30 3.30x30 V102
3x33 3.33x33 Y105
3x34 3.34x34 F106
3x37 3.37x37 Y109
TM4
4x53 4.53x53 M152
4x56 4.56x56 L155
4x57 4.57x57 S156
4x60 4.60x60 N159
TM5
5x36 5.36x36 H187
5x39 5.39x39 V190
5x40 5.40x40 N191
5x43 5.43x43 C194
5x44 5.44x44 Q195
TM6
6x51 6.51x51 F252
6x54 6.54x54 A255
6x55 6.55x55 R256
6x58 6.58x58 Y259
TM7
7x30 7.31x30 L276
7x33 7.34x33 V279
7x34 7.35x34 K280
7x37 7.38x37 T283