PDB
3V2Y
Resolution
2.8 Å
Released
Feb. 15, 2012
Receptor
S1P1
Class
A
Species
Homo sapiens
Ligand
Function
W146
Antagonist
Reference
10.1126/SCIENCE.1215904

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Ligand Amino Acid Generic Number Segment Interaction Type
W146 Y29 N-term polar (hydrogen bond)
W146 K34 N-term polar (hydrogen bond)
W146 K34 N-term polar (charge-charge)
W146 Y98 2.57x57 TM2 Van der Waals
W146 N101 2.60x60 TM2 polar (hydrogen bond)
W146 S105 2.64x64 TM2 Van der Waals
W146 R120 3.28x28 TM3 polar (charge-charge)
W146 E121 3.29x29 TM3 polar (charge-charge)
W146 E121 3.29x29 TM3 polar (hydrogen bond)
W146 M124 3.32x32 TM3 hydrophobic
W146 F125 3.33x33 TM3 hydrophobic
W146 L128 3.36x36 TM3 hydrophobic
W146 V194 ECL2 Van der Waals
W146 P196 ECL2 Van der Waals
W146 C206 5.43x43 TM5 hydrophobic
W146 T207 5.44x44 TM5 Van der Waals
W146 F210 5.47x47 TM5 Van der Waals
W146 W269 6.48x48 TM6 hydrophobic
W146 L272 6.51x51 TM6 hydrophobic
W146 F273 6.52x52 TM6 Van der Waals
W146 L276 6.55x55 TM6 hydrophobic
W146 E294 7.36x35 TM7 Van der Waals
W146 L297 7.39x38 TM7 hydrophobic
W146 V301 7.43x42 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
S1P1 receptor
TM2
2x57 2.57x57 Y98
2x60 2.60x60 N101
2x64 2.64x64 S105
TM3
3x28 3.28x28 R120
3x29 3.29x29 E121
3x32 3.32x32 M124
3x33 3.33x33 F125
3x36 3.36x36 L128
TM5
5x43 5.43x43 C206
5x44 5.44x44 T207
5x47 5.47x47 F210
TM6
6x48 6.48x48 W269
6x51 6.51x51 L272
6x52 6.52x52 F273
6x55 6.55x55 L276
TM7
7x35 7.36x35 E294
7x38 7.39x38 L297
7x42 7.43x42 V301