Ligand
Function
Agonist
Reference
| Ligand | Amino Acid | Generic Number | Segment | Interaction Type |
|---|---|---|---|---|
| SDF-1-beta(3-72) | Y51 | 1.39x39 | TM1 | Van der Waals |
| SDF-1-beta(3-72) | W100 | 2.60x60 | TM2 | aromatic (edge-to-face) |
| SDF-1-beta(3-72) | W100 | 2.60x60 | TM2 | hydrophobic |
| SDF-1-beta(3-72) | S103 | 2.63x63 | TM2 | polar (hydrogen bond) |
| SDF-1-beta(3-72) | N108 | ECL1 | Van der Waals | |
| SDF-1-beta(3-72) | W110 | 23.50x50 | ECL1 | Van der Waals |
| SDF-1-beta(3-72) | C117 | 3.25x25 | TM3 | hydrophobic |
| SDF-1-beta(3-72) | H121 | 3.29x29 | TM3 | hydrophobic |
| SDF-1-beta(3-72) | H121 | 3.29x29 | TM3 | Van der Waals |
| SDF-1-beta(3-72) | F124 | 3.32x32 | TM3 | Van der Waals |
| SDF-1-beta(3-72) | L128 | 3.36x36 | TM3 | hydrophobic |
| SDF-1-beta(3-72) | F129 | 3.37x37 | TM3 | hydrophobic |
| SDF-1-beta(3-72) | I132 | 3.40x40 | TM3 | Van der Waals |
| SDF-1-beta(3-72) | D179 | 4.60x61 | TM4 | polar (charge-charge) |
| SDF-1-beta(3-72) | L183 | 4.64x65 | TM4 | Van der Waals |
| SDF-1-beta(3-72) | C196 | 45.50x50 | ECL2 | hydrophobic |
| SDF-1-beta(3-72) | R197 | 45.51x51 | ECL2 | Van der Waals |
| SDF-1-beta(3-72) | S198 | 45.52x52 | ECL2 | Van der Waals |
| SDF-1-beta(3-72) | Y200 | ECL2 | polar (hydrogen bond) | |
| SDF-1-beta(3-72) | I205 | 5.31x32 | TM5 | hydrophobic |
| SDF-1-beta(3-72) | L209 | 5.35x36 | TM5 | Van der Waals |
| SDF-1-beta(3-72) | S216 | 5.42x43 | TM5 | Van der Waals |
| SDF-1-beta(3-72) | Y268 | 6.51x51 | TM6 | polar (hydrogen bond) |
| SDF-1-beta(3-72) | D275 | 6.58x58 | TM6 | polar (charge-charge) |
| SDF-1-beta(3-72) | I279 | 6.62x62 | TM6 | Van der Waals |
| SDF-1-beta(3-72) | H281 | 6.64x64 | TM6 | Van der Waals |
| SDF-1-beta(3-72) | E290 | 7.28x27 | TM7 | polar (hydrogen bond) |
| SDF-1-beta(3-72) | E290 | 7.28x27 | TM7 | polar (charge-charge) |
| SDF-1-beta(3-72) | L297 | 7.35x34 | TM7 | hydrophobic |
| SDF-1-beta(3-72) | H298 | 7.36x35 | TM7 | Van der Waals |
| SDF-1-beta(3-72) | Q301 | 7.39x38 | TM7 | Van der Waals |
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|
GPCRdb(A)
|
GPCRdb(A)
|
ACKR3
|
|---|---|---|
| TM1 | ||
| 1x39 | 1.39x39 | Y51 |
| TM2 | ||
| 2x60 | 2.60x60 | W100 |
| 2x63 | 2.63x63 | S103 |
| ECL1 | ||
| 23x50 | 23.50x50 | W110 |
| TM3 | ||
| 3x25 | 3.25x25 | C117 |
| 3x29 | 3.29x29 | H121 |
| 3x32 | 3.32x32 | F124 |
| 3x36 | 3.36x36 | L128 |
| 3x37 | 3.37x37 | F129 |
| 3x40 | 3.40x40 | I132 |
| TM4 | ||
| 4x61 | 4.60x61 | D179 |
| 4x65 | 4.64x65 | L183 |
| ECL2 | ||
| 45x50 | 45.50x50 | C196 |
| 45x51 | 45.51x51 | R197 |
| 45x52 | 45.52x52 | S198 |
| TM5 | ||
| 5x32 | 5.31x32 | I205 |
| 5x36 | 5.35x36 | L209 |
| 5x43 | 5.42x43 | S216 |
| TM6 | ||
| 6x51 | 6.51x51 | Y268 |
| 6x58 | 6.58x58 | D275 |
| 6x62 | 6.62x62 | I279 |
| 6x64 | 6.64x64 | H281 |
| TM7 | ||
| 7x27 | 7.28x27 | E290 |
| 7x34 | 7.35x34 | L297 |
| 7x35 | 7.36x35 | H298 |
| 7x38 | 7.39x38 | Q301 |