| Ligand | Amino Acid | Generic Number | Segment | Interaction Type |
|---|---|---|---|---|
| SPM-242 | Y22 | N-term | Van der Waals | |
| SPM-242 | Y22 | N-term | polar (hydrogen bond) | |
| SPM-242 | T42 | 1.35x35 | TM1 | Van der Waals |
| CHEMBL5779183 | V94 | 2.59x59 | TM2 | hydrophobic |
| SPM-242 | N95 | 2.60x60 | TM2 | polar (hydrogen bond) |
| SPM-242 | I96 | 2.61x61 | TM2 | Van der Waals |
| SPM-242 | I96 | 2.61x61 | TM2 | hydrophobic |
| CHEMBL5779183 | M98 | 2.63x63 | TM2 | polar (hydrogen bond) |
| SPM-242 | S99 | 2.64x64 | TM2 | polar (hydrogen bond) |
| SPM-242 | G100 | 23.47x47 | ECL1 | polar (hydrogen bond with backbone) |
| SPM-242 | G100 | 23.47x47 | ECL1 | Van der Waals |
| SPM-242 | T103 | 23.50x50 | ECL1 | Van der Waals |
| SPM-242 | T103 | 23.50x50 | ECL1 | polar (hydrogen bond) |
| CHEMBL5779183 | L113 | 3.27x27 | TM3 | Van der Waals |
| CHEMBL5779183 | L113 | 3.27x27 | TM3 | hydrophobic |
| SPM-242 | R114 | 3.28x28 | TM3 | polar (charge-assisted hydrogen bond) |
| CHEMBL5779183 | R114 | 3.28x28 | TM3 | Van der Waals |
| SPM-242 | E115 | 3.29x29 | TM3 | polar (charge-assisted hydrogen bond) |
| CHEMBL5779183 | G116 | 3.30x30 | TM3 | Van der Waals |
| CHEMBL5779183 | S117 | 3.31x31 | TM3 | Van der Waals |
| CHEMBL5779183 | S117 | 3.31x31 | TM3 | polar (hydrogen bond) |
| CHEMBL5779183 | V120 | 3.34x34 | TM3 | Van der Waals |
| CHEMBL5779183 | V120 | 3.34x34 | TM3 | hydrophobic |
| CHEMBL5779183 | A121 | 3.35x35 | TM3 | Van der Waals |
| CHEMBL5779183 | F166 | 4.54x54 | TM4 | aromatic (edge-to-face) |
| CHEMBL5779183 | F166 | 4.54x54 | TM4 | Van der Waals |
| CHEMBL5779183 | A170 | 4.58x58 | TM4 | Van der Waals |
| CHEMBL5779183 | A170 | 4.58x58 | TM4 | hydrophobic |
| SPM-242 | Q281 | 7.36x35 | TM7 | Van der Waals |
| SPM-242 | W282 | 7.37x36 | TM7 | Van der Waals |
| SPM-242 | W282 | 7.37x36 | TM7 | polar (hydrogen bond) |
| SPM-242 | W282 | 7.37x36 | TM7 | aromatic (face-to-edge) |
| SPM-242 | I284 | 7.39x38 | TM7 | Van der Waals |
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|
GPCRdb(A)
|
GPCRdb(A)
|
S1P3 receptor
|
|---|---|---|
| TM1 | ||
| 1x35 | 1.35x35 | T42 |
| TM2 | ||
| 2x59 | 2.59x59 | V94 |
| 2x60 | 2.60x60 | N95 |
| 2x61 | 2.61x61 | I96 |
| 2x63 | 2.63x63 | M98 |
| 2x64 | 2.64x64 | S99 |
| ECL1 | ||
| 23x47 | 23.47x47 | G100 |
| 23x50 | 23.50x50 | T103 |
| TM3 | ||
| 3x27 | 3.27x27 | L113 |
| 3x28 | 3.28x28 | R114 |
| 3x29 | 3.29x29 | E115 |
| 3x30 | 3.30x30 | G116 |
| 3x31 | 3.31x31 | S117 |
| 3x34 | 3.34x34 | V120 |
| 3x35 | 3.35x35 | A121 |
| TM4 | ||
| 4x54 | 4.54x54 | F166 |
| 4x58 | 4.58x58 | A170 |
| TM7 | ||
| 7x35 | 7.36x35 | Q281 |
| 7x36 | 7.37x36 | W282 |
| 7x38 | 7.39x38 | I284 |