Table 2.
Description of interactions between the MMP-9 domains.
| PRO/CAT | HPX | Type | Terminal inhibitory complex | Circular heterohexamer |
|---|---|---|---|---|
| Glu53 | Ala647 | VdW | − | + |
| Tyr54 | Arg652 | HB, VdW | − | + |
| Arg56 | Asp634 | Elect, HB | − | + |
| Arg645 | VdW | − | + | |
| Ser646 | VdW | − | + | |
| Val57 | Leu632 | VdW | − | + |
| Arg634 | VdW | − | + | |
| Ser646 | VdW | − | + | |
| Ser648 | VdW | − | + | |
| Glu59 | Arg634 | Elect, HB | − | + |
| Leu73 | Glu649/Met653 | VdW, VdW | − | + |
| Asp652 | VdW | − | + | |
| Lys76 | Glu649 | Elect, HB | − | + |
| Asp651 | Elect, HB | − | + | |
| Leu104 | Ala647 | VdW | − | + |
| Arg106 | Asp609 | Elect, HB | − | + |
| Phe110 | Ala608 | VdW | − | + |
| Gly112 | Arg600 | VdW | − | + |
| Ala608 | VdW | − | + | |
| Asp113 | Arg585/Arg600 | Elect, HB/Elect, HB | − | + |
| Leu114 | Ala608 | VdW | − | + |
| Asp609 | VdW | − | + | |
| Phe222 | Gln586 | HB | − | + |
| Pro598 | VdW | − | + | |
| Asn224 | Pro564 | VdW | − | + |
| Arg249 | Val595 | VdW | − | + |
| Gly597 | HB | − | + | |
| Asp251 | Val595 | VdW | − | + |
| Asp263 | Arg546 | Elect, HB | + | − |
| Thr264 | Arg546 | VdW | + | − |
| Asp266 | Arg565 | Elect, HB | − | + |
| Phe268 | Pro561/Pro564 | VdW/VdW | − | + |
| Ala562 | VdW | − | + | |
| Leu563 | VdW | − | + | |
| Phe270 | Pro598 | VdW | − | + |
| Glu427 | Arg677 | Elect, HB | + | − |
| Tyr696 | HB | + | − |
Hydrogen bonds (HB), Van der Waals (VdW), and Coulomb electrostatic interactions (Elect) are marked as follows: ‘+’ indicates stable interactions and ‘−’ the absent ones.