PDB
3VW7
Resolution
2.2 Å
Released
Dec. 12, 2012
Receptor
PAR1
Class
A
Species
Homo sapiens
Ligand
Function
vorapaxar
Antagonist
Reference
10.1038/NATURE11701

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Ligand Amino Acid Generic Number Segment Interaction Type
vorapaxar Y183 3.33x33 TM3 aromatic (edge-to-face)
vorapaxar Y183 3.33x33 TM3 hydrophobic
vorapaxar Y187 3.37x37 TM3 Van der Waals
vorapaxar G233 4.56x56 TM4 Van der Waals
vorapaxar P236 4.59x60 TM4 Van der Waals
vorapaxar L237 4.60x61 TM4 hydrophobic
vorapaxar H255 45.51x51 ECL2 Van der Waals
vorapaxar D256 45.52x52 ECL2 Van der Waals
vorapaxar V257 ECL2 Van der Waals
vorapaxar L258 ECL2 hydrophobic
vorapaxar L258 ECL2 polar (hydrogen bond with backbone)
vorapaxar L262 ECL2 Van der Waals
vorapaxar L263 ECL2 Van der Waals
vorapaxar F271 5.39x39 TM5 aromatic (face-to-face)
vorapaxar F271 5.39x39 TM5 hydrophobic
vorapaxar L332 6.54x54 TM6 Van der Waals
vorapaxar L333 6.55x55 TM6 hydrophobic
vorapaxar H336 6.58x58 TM6 Van der Waals
vorapaxar Y337 6.59x59 TM6 polar (hydrogen bond)
vorapaxar L340 6.62x62 TM6 Van der Waals
vorapaxar S344 ECL3 Van der Waals
vorapaxar A349 7.31x30 TM7 polar (hydrogen bond with backbone)
vorapaxar Y350 7.32x31 TM7 hydrophobic
vorapaxar A352 7.34x33 TM7 Van der Waals
vorapaxar Y353 7.35x34 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
PAR1
TM3
3x33 3.33x33 Y183
3x37 3.37x37 Y187
TM4
4x56 4.56x56 G233
4x60 4.59x60 P236
4x61 4.60x61 L237
ECL2
45x51 45.51x51 H255
45x52 45.52x52 D256
TM5
5x39 5.39x39 F271
TM6
6x54 6.54x54 L332
6x55 6.55x55 L333
6x58 6.58x58 H336
6x59 6.59x59 Y337
6x62 6.62x62 L340
TM7
7x30 7.31x30 A349
7x31 7.32x31 Y350
7x33 7.34x33 A352
7x34 7.35x34 Y353