Ligands
Function
Antagonist
NAM
Reference
| Ligand | Amino Acid | Generic Number | Segment | Interaction Type |
|---|---|---|---|---|
| Na+ | D69 | 2.50x50 | TM2 | metal coordination |
| zafirlukast | Y104 | 3.33x33 | TM3 | polar (hydrogen bond) |
| zafirlukast | Y104 | 3.33x33 | TM3 | aromatic (edge-to-face) |
| zafirlukast | Y108 | 3.37x37 | TM3 | hydrophobic |
| Na+ | S110 | 3.39x39 | TM3 | metal coordination |
| zafirlukast | F112 | 3.41x41 | TM3 | hydrophobic |
| zafirlukast | F150 | 4.52x52 | TM4 | hydrophobic |
| zafirlukast | V151 | 4.53x53 | TM4 | Van der Waals |
| zafirlukast | T154 | 4.56x56 | TM4 | polar (hydrogen bond with backbone) |
| zafirlukast | S155 | 4.57x57 | TM4 | Van der Waals |
| zafirlukast | P157 | 4.59x60 | TM4 | hydrophobic |
| zafirlukast | F158 | 4.60x61 | TM4 | aromatic (edge-to-face) |
| zafirlukast | F158 | 4.60x61 | TM4 | hydrophobic |
| zafirlukast | P176 | ECL2 | Van der Waals | |
| zafirlukast | P177 | ECL2 | Van der Waals | |
| zafirlukast | V186 | 5.35x36 | TM5 | Van der Waals |
| zafirlukast | L189 | 5.38x39 | TM5 | hydrophobic |
| zafirlukast | H190 | 5.39x40 | TM5 | Van der Waals |
| zafirlukast | S193 | 5.42x43 | TM5 | polar (hydrogen bond) |
| zafirlukast | V196 | 5.45x46 | TM5 | Van der Waals |
| zafirlukast | G197 | 5.46x461 | TM5 | Van der Waals |
| zafirlukast | Y249 | 6.51x51 | TM6 | hydrophobic |
| zafirlukast | Y249 | 6.51x51 | TM6 | polar (hydrogen bond) |
| zafirlukast | Y249 | 6.51x51 | TM6 | aromatic (edge-to-face) |
| zafirlukast | Q252 | 6.54x54 | TM6 | hydrophobic |
| zafirlukast | R253 | 6.55x55 | TM6 | hydrophobic |
| zafirlukast | R253 | 6.55x55 | TM6 | aromatic (pi-cation) |
| zafirlukast | H256 | 6.58x58 | TM6 | aromatic (edge-to-face) |
| zafirlukast | L257 | 6.59x59 | TM6 | Van der Waals |
| zafirlukast | V277 | 7.35x34 | TM7 | hydrophobic |
| zafirlukast | T280 | 7.38x37 | TM7 | Van der Waals |
| zafirlukast | L281 | 7.39x38 | TM7 | Van der Waals |
| Na+ | N287 | 7.45x45 | TM7 | metal coordination |
| Na+ | D291 | 7.49x49 | TM7 | metal coordination |
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|
GPCRdb(A)
|
GPCRdb(A)
|
CysLT1 receptor
|
|---|---|---|
| TM2 | ||
| 2x50 | 2.50x50 | D69 |
| TM3 | ||
| 3x33 | 3.33x33 | Y104 |
| 3x37 | 3.37x37 | Y108 |
| 3x39 | 3.39x39 | S110 |
| 3x41 | 3.41x41 | F112 |
| TM4 | ||
| 4x52 | 4.52x52 | F150 |
| 4x53 | 4.53x53 | V151 |
| 4x56 | 4.56x56 | T154 |
| 4x57 | 4.57x57 | S155 |
| 4x60 | 4.59x60 | P157 |
| 4x61 | 4.60x61 | F158 |
| TM5 | ||
| 5x36 | 5.35x36 | V186 |
| 5x39 | 5.38x39 | L189 |
| 5x40 | 5.39x40 | H190 |
| 5x43 | 5.42x43 | S193 |
| 5x46 | 5.45x46 | V196 |
| 5x461 | 5.46x461 | G197 |
| TM6 | ||
| 6x51 | 6.51x51 | Y249 |
| 6x54 | 6.54x54 | Q252 |
| 6x55 | 6.55x55 | R253 |
| 6x58 | 6.58x58 | H256 |
| 6x59 | 6.59x59 | L257 |
| TM7 | ||
| 7x34 | 7.35x34 | V277 |
| 7x37 | 7.38x37 | T280 |
| 7x38 | 7.39x38 | L281 |
| 7x45 | 7.45x45 | N287 |
| 7x49 | 7.49x49 | D291 |