PDB
7EO2
Resolution
2.9 Å
Released
Jan. 5, 2022
Receptor
S1P1
Class
A
Species
Homo sapiens
Ligand
Function
(S)-FTY720-phosphate
Agonist
Reference
10.1038/S41589-021-00930-3

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Ligand Amino Acid Generic Number Segment Interaction Type
(S)-FTY720-phosphate Y29 N-term polar (hydrogen bond)
(S)-FTY720-phosphate K34 N-term polar (hydrogen bond)
(S)-FTY720-phosphate K34 N-term polar (charge-charge)
(S)-FTY720-phosphate N101 2.60x60 TM2 polar (hydrogen bond)
(S)-FTY720-phosphate S105 2.64x64 TM2 Van der Waals
(S)-FTY720-phosphate T109 23.50x50 ECL1 polar (hydrogen bond)
(S)-FTY720-phosphate R120 3.28x28 TM3 polar (charge-charge)
(S)-FTY720-phosphate E121 3.29x29 TM3 polar (charge-charge)
(S)-FTY720-phosphate M124 3.32x32 TM3 hydrophobic
(S)-FTY720-phosphate F125 3.33x33 TM3 hydrophobic
(S)-FTY720-phosphate L128 3.36x36 TM3 hydrophobic
(S)-FTY720-phosphate S129 3.37x37 TM3 Van der Waals
(S)-FTY720-phosphate L195 ECL2 hydrophobic
(S)-FTY720-phosphate F210 5.47x47 TM5 hydrophobic
(S)-FTY720-phosphate L272 6.51x51 TM6 hydrophobic
(S)-FTY720-phosphate L276 6.55x55 TM6 Van der Waals
(S)-FTY720-phosphate E294 7.36x35 TM7 Van der Waals
(S)-FTY720-phosphate L297 7.39x38 TM7 Van der Waals

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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
2x60 2.60x60 N101
2x64 2.64x64 S105
ECL1
23x50 23.50x50 T109
TM3
3x28 3.28x28 R120
3x29 3.29x29 E121
3x32 3.32x32 M124
3x33 3.33x33 F125
3x36 3.36x36 L128
3x37 3.37x37 S129
TM5
5x47 5.47x47 F210
TM6
6x51 6.51x51 L272
6x55 6.55x55 L276
TM7
7x35 7.36x35 E294
7x38 7.39x38 L297