Structure information

S1P1 receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

7TD4

SPECIES

Homo sapiens

RESOLUTION

2.600

PREFERRED CHAIN

R

REFERENCE

10.1038/S41467-022-28417-2

PUBLICATION DATE

Feb. 9, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
siponimod T109 23.50x50 ECL1 polar (hydrogen bond)
siponimod T109 23.50x50 ECL1 Van der Waals
siponimod R120 3.28x28 TM3 polar (charge-assisted hydrogen bond)
siponimod E121 3.29x29 TM3 polar (charge-assisted hydrogen bond)
siponimod F125 3.33x33 TM3 aromatic (face-to-face)
siponimod F125 3.33x33 TM3 Van der Waals
siponimod L128 3.36x36 TM3 hydrophobic
siponimod L128 3.36x36 TM3 Van der Waals
siponimod S129 3.37x37 TM3 Van der Waals
siponimod V132 3.40x40 TM3 Van der Waals
siponimod V132 3.40x40 TM3 hydrophobic
siponimod L174 4.56x56 TM4 Van der Waals
siponimod L174 4.56x56 TM4 hydrophobic
siponimod V194 ECL2 Van der Waals
siponimod V194 ECL2 hydrophobic
siponimod L195 ECL2 hydrophobic
siponimod L195 ECL2 Van der Waals
siponimod C206 5.43x43 TM5 polar (hydrogen bond with backbone)
siponimod C206 5.43x43 TM5 Van der Waals
siponimod T207 5.44x44 TM5 Van der Waals
siponimod V209 5.46x46 TM5 hydrophobic
siponimod V209 5.46x46 TM5 Van der Waals
siponimod F210 5.47x47 TM5 hydrophobic
siponimod F210 5.47x47 TM5 Van der Waals
siponimod L213 5.50x50 TM5 Van der Waals
siponimod W269 6.48x48 TM6 Van der Waals
siponimod W269 6.48x48 TM6 aromatic (edge-to-face)
siponimod L276 6.55x55 TM6 hydrophobic
siponimod L276 6.55x55 TM6 Van der Waals
siponimod A293 7.35x34 TM7 hydrophobic
siponimod L297 7.39x38 TM7 Van der Waals
siponimod L297 7.39x38 TM7 hydrophobic

Ligands

siponimod

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
S1P1 receptor
ECL1
23x50 23.50x50 T109
TM3
3x28 3.28x28 R120
3x29 3.29x29 E121
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
5x44 5.44x44 T207
5x46 5.46x46 V209
5x47 5.47x47 F210
5x50 5.50x50 L213
TM6
6x48 6.48x48 W269
6x55 6.55x55 L276
TM7
7x34 7.35x34 A293
7x38 7.39x38 L297