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

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Ligand Amino Acid Generic Number Segment Interaction Type
cenerimod K34 polar (hydrogen bond)
cenerimod N101 2.60x60 TM2 Van der Waals
cenerimod E121 3.29x29 TM3 Van der Waals
cenerimod M124 3.32x32 TM3 Van der Waals
cenerimod F125 3.33x33 TM3 aromatic (face-to-face)
cenerimod F125 3.33x33 TM3 hydrophobic
cenerimod L128 3.36x36 TM3 hydrophobic
cenerimod S129 3.37x37 TM3 Van der Waals
cenerimod V132 3.40x40 TM3 hydrophobic
cenerimod L174 4.56x56 TM4 Van der Waals
cenerimod V194 ECL2 hydrophobic
cenerimod L195 ECL2 Van der Waals
cenerimod C206 5.43x43 TM5 Van der Waals
cenerimod V209 5.46x46 TM5 hydrophobic
cenerimod F210 5.47x47 TM5 Van der Waals
cenerimod W269 6.48x48 TM6 aromatic (edge-to-face)
cenerimod L272 6.51x51 TM6 hydrophobic
cenerimod L275 6.54x54 TM6 Van der Waals
cenerimod L276 6.55x55 TM6 hydrophobic
cenerimod A293 ECL3 Van der Waals
cenerimod 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
TM3
3x29 3.29x29 E121
3x32 3.32x32 M124
3x33 3.33x33 F125
3x36 3.36x36 L128
3x37 3.37x37 S129
3x40 3.40x40 V132
TM4
4x56 4.56x56 L174
TM5
5x43 5.43x43 C206
5x46 5.46x46 V209
5x47 5.47x47 F210
TM6
6x48 6.48x48 W269
6x51 6.51x51 L272
6x54 6.54x54 L275
6x55 6.55x55 L276
TM7
7x38 7.39x38 L297