PDB
7EW0
Resolution
3.4 Å
Released
Sept. 29, 2021
Receptor
S1P1
Class
A
Species
Homo sapiens
Ligand
Function
ozanimod
Agonist
Reference
10.1038/S41422-021-00566-X

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Ligand Amino Acid Generic Number Segment Interaction Type
ozanimod K34 Van der Waals
ozanimod E121 3.29x29 TM3 Van der Waals
ozanimod M124 3.32x32 TM3 hydrophobic
ozanimod F125 3.33x33 TM3 aromatic (face-to-face)
ozanimod F125 3.33x33 TM3 hydrophobic
ozanimod L128 3.36x36 TM3 hydrophobic
ozanimod S129 3.37x37 TM3 Van der Waals
ozanimod V194 ECL2 hydrophobic
ozanimod L195 ECL2 hydrophobic
ozanimod C206 5.43x43 TM5 Van der Waals
ozanimod T207 5.44x44 TM5 Van der Waals
ozanimod V209 5.46x46 TM5 Van der Waals
ozanimod F210 5.47x47 TM5 hydrophobic
ozanimod L213 5.50x50 TM5 hydrophobic
ozanimod W269 6.48x48 TM6 aromatic (edge-to-face)
ozanimod L272 6.51x51 TM6 Van der Waals
ozanimod L276 6.55x55 TM6 hydrophobic
ozanimod E294 7.36x35 TM7 Van der Waals
ozanimod L297 7.39x38 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
TM3
3x29 3.29x29 E121
3x32 3.32x32 M124
3x33 3.33x33 F125
3x36 3.36x36 L128
3x37 3.37x37 S129
TM5
5x43 5.43x43 C206
5x44 5.44x44 T207
5x46 5.46x46 V209
5x47 5.47x47 F210
5x50 5.50x50 L213
TM6
6x48 6.48x48 W269
6x51 6.51x51 L272
6x55 6.55x55 L276
TM7
7x35 7.36x35 E294
7x38 7.39x38 L297