Table 5.
Predicted ligand binding sites in the Slc2a4 using the homologue model generated by I-TASSER.
| Name of Server | Name of Ligand | Residue Number | C-Score |
|---|---|---|---|
| COACH SERVER | Maltose (MAL) | 42, 46, 177, 180, 181, 184, 298, 299, 304, 333, 395, 396, 404, 431 | 0.19 |
| Cytochalasin B (5RH) | 96, 153, 177, 180, 298, 304, 400, 424, 427, 428, 431 | 0.10 | |
| Cholesterol hemisuccinate (Y01) | 97, 275, 292, 296, 300, 426, 429, 434 | 0.09 | |
| (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl] propenamide (5RF) | 38, 96, 153, 176, 298, 395, 396, 420, 424, 427, 428 | 0.05 | |
| Octyl Glucose Neopentyl Glycol (37X) | 22, 23, 26, 218, 219, 222, 246 | 0.03 | |
| (2S)-2,3Dihydroxypropyl (7Z)-pentadec-7-enoate (78M) | 90, 91, 93, 94, 142, 426, 427 | 0.02 | |
| Octyl Glucose Neopentyl Glycol (37X) | 94, 97, 98, 101, 118, 143 | 0.02 | |
| methyl-α-d-glucopyranoside (GYP) | 296, 430, 433, 434, 452, 453, 456, 457 | 0.02 | |
| N-[(1R)-1-phosphonoethyl]-l-alaninamide (AFS) | 39, 43, 177, 180, 181, 184, 329, 333 | 0.02 | |
| M-cresol (CRS) | 306, 309 | - | |
| TM-Site Results | Maltose (MAL) (2), β-d-glucose (BGC) (2), 6-bromo-6-deoxy-β-d-glucopyranose (6BG) (1) | 42, 46, 177, 180, 181, 184, 298, 299, 304, 333, 395, 396, 404, 431 | 0.4 |
| 5RH (1), (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl] propenamide (5RF)(1), (2~{S})-3-(4-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propenamide(5RE(1) |
96, 153, 177, 180, 298, 304, 400, 424, 427, 428, 431 | 0.2 | |
| Cholesterol hemisuccinate (Y01) (2) | 97, 275, 292, 296, 300, 426, 429, 434 | 0.1 | |
| Octyl Glucose Neopentyl Glycol (37X) (1) | 22, 23, 26, 218, 219, 222, 246 | 0.1 | |
| S-Site Results | 2′-deoxycytidine-5′-monophosphate (DCM) (1), 2′-deoxyuridine 5′-monophosphate (UMP) (1) |
349, 350 | 0.16 |
| M-cresol (CRS) (1), adenosine-5′-phosphosulfate (ADX) (1) | 304, 306, 309 | 0.15 | |
| magnesium ion (Mg2+) (1), calcium ion (Ca2+) (1) | 224, 225, 226, 228 | 0.15 | |
| magnesium ion (Mg2+) (1) | 162, 165 | 0.14 | |
| l-α-glycerophosphorylethanol amine (GPE) (1), Fe (II) ion (Fe2+) (1) | 239, 299, 302, 303, 400, 409 | 0.14 |