Table 2. Detailed Hydrogen Bonds and Hydrophobic Interactions between PTP and PXA or PXB.
| PXA |
PXB |
||||
|---|---|---|---|---|---|
| compound | loop | H bond | hydrophobicity | H bond | hydrophobicity |
| SHP1 | pTyr | Y278 | Y278 | ||
| β5-β6 | K362 | K358, K362 | K358, K362 | ||
| WPD | D421, H422 | D421, H422, | |||
| PTP | S455, R461 | S455, R461 | S455, R461 | S455, R461 | |
| Q loop | Q506 | T503, Q502 | Q502 | Q502, Q506 | |
| SHP2 | pTyr | Y279, I282 | |||
| β5-β6 | K366 | R362, K366 | R362, K366 | R362, K366 | |
| WPD | G427 | D425 | G427 | D425 | |
| PTP | S460, G464 | A461,S460,I463,R465 | A461, R465 | A461,S460,I463,R465 | |
| Q loop | Q506, T507, Q510 | Q506, T507, Q510 | |||
| PTP1B | pTyr | R24, Y46 | R24, Y46, D48, V49 | R24, D48 | R24, Y46, D48, V49 |
| β5-β6 | K120 | ||||
| WPD | D181, P182 | P182 | |||
| PTP | I219 | I219 | |||
| Q loop | Q262 | Q262 | Q262 | R254, M258, Q262, | |
a
Hydrogen bonds were calculated by SYBYL-X. Hydrophobicity was identified by Lig-plus.