Table 1.
Docking results of IPP, IIAE, LIVTQ, and LVYPFP.
| Protein 6MOJ | Ligand IPP | ||
|---|---|---|---|
| Residue | Atom Name | Interaction Type | Distance (Å) |
| NH1 Arg 273 | O− (Pro2) | Salt bridge | 3.0 |
| OE1 Glu 375 | NH3+ (Ile) | Salt bridge | 4.1 |
| OE2 Glu 375 | NH3+ (Ile) | Hydrogen bond | 2.0 |
| NE2 His 378 | NH3+ (Ile) | Hydrogen bond | 2.4 |
| OE1 Glu 402 | NH3+ (Ile) | Hydrogen bond | 2.9 |
| OE2 Glu 402 | NH3+ (Ile) | Salt bridge | 3.1 |
| Ligand IIAE | |||
| NH2 Arg 273 | O1 (Glu) | Salt bridge | 3.0 |
| NH2 Arg 273 | OE1 (Glu) | Hydrogen bond | 2.9 |
| NH1 Arg 273 | OE2 (Glu) | Salt bridge | 3.0 |
| OE1 Glu 375 | NH3+ (Ile) | Salt bridge | 3.0 |
| OE2 Glu 375 | NH3+ (Ile) | Hydrogen bond | 2.6 |
| OE2 Glu 375 | NH (Ile) | Hydrogen bond | 2.4 |
| OE1 Glu 402 | NH3+ (Ile) | Hydrogen bond | 2.9 |
| OE2 Glu 402 | NH (Ala) | Hydrogen bond | 2.9 |
| CG Glu 402 | NH3+ (Ile) | Salt bridge | 4.3 |
| Ligand LIVTQ | |||
| ND1 His 374 | O (Gln) | Hydrogen bond | 2.8 |
| OE1 Glu 375 | NH3+ (Leu) | Salt bridge | 3.5 |
| OE2 Glu 375 | NH3+ (Leu) | Hydrogen bond | 2.9 |
| OE2 Glu 375 | NH (Ile) | Hydrogen bond | 2.3 |
| OE1 Glu 402 | NH3+ (Leu) | Hydrogen bond | 2.0 |
| OE2 Glu 402 | NH3+ (Leu) | Salt bridge | 4.3 |
| OE2 Glu 402 | NH (Val) | Hydrogen bond | 2.6 |
| OE1 Glu 406 | OH (Thr) | Hydrogen bond | 2.9 |
| OE1 Glu 406 | NH2 (Gln) | Hydrogen bond | 2.9 |
| OE1 Glu 406 | NH (Gln) | Hydrogen bond | 2.9 |
| OE2 Glu 406 | NH (Thr) | Hydrogen bond | 2.9 |
| OE2 Glu 406 | NH (Val) | Hydrogen bond | 2.3 |
| NE2 Gln 442 | O (Gln) | Hydrogen bond | 2.8 |
| NH2 Arg 518 | OH (Thr) | Hydrogen bond | 2.1 |
| Ligand LVYPFP | |||
| CG2 Thr 276 | O− (Pro) | Hydrogen bond | 2.6 |
| OE1 Glu 402 | NH3+ (Leu) | Salt bridge | 3.8 |
| OE2 Glu 402 | NH3+ (Leu) | Hydrogen bond | 2.9 |
| CO Glu 406 | NH3+ (Leu) | Salt bridge | 4.0 |
| OE1 Glu 406 | NH (Val) | Hydrogen bond | 2.8 |
| OE1 Glu 406 | NH (Tyr) | Hydrogen bond | 2.4 |
| OE2 Glu 406 | NH3+ (Leu) | Hydrogen bond | 2.8 |