Table 1.
Active site parameters of convergently related Ser proteases
Clan | Enzyme | PDB | Complex | Reactive rotamer | ϕ, ψ angles | Catalytic motif | Oxyanion hole | Face of attack | χcat | αcat | χoxy | Reference |
PA | Elastase | 3HGN | Hemiketal | g− | (−43, 140) | S-H-D | N | re | −131 | 125 | −32 | (68) |
SB | Sedolisin | 1GA4 | Ester | g− | (−62, −24) | S-E-D | N | re | −147 | 108 | −18 | (69) |
SE | D-Ala-D-Ala peptidase | 1MPL | Phophonate | g− | (−72, 0) | S-Y-K | N | re | −156 | 97 | −48 | (70) |
SC | Prolyl aminopeptidase | 1QFM | Hemiketal | t | (66, −115) | S-H-D | N + 1 | si | 117 | 106 | 32 | (26) |
SS | L,D-carboxypeptidase | 1ZRS | t | (64, −130) | S-H-E | N + 1 | si | 109 | (49) | |||
PC | Aspartyl dipeptidase | 1FYE | t | (57, −122) | S-H-E | N + 1 | si | 84 | (71) | |||
SH | CMV protease | 1NKM | α-Ketoamide | t | (−177, 132) | S-H-H | Extrinsic | re | −125 | 111 | −39 | (23) |
SK | ClpP | 1FZS | HMK | t | (59, −122) | S-H-D | N + 1 | si | 130 | 74 | 50 | (29) |
SF | Signal peptidase | 1B12 | Ester | g+ | (−68, −11) | S-K | N | si | 148 | 109 | 1 | (60) |
SJ | VP4 protease | 3R0B | Ester | g+ | (−65, −13) | S-K | N | si | 173 | 114 | −9 | (72) |
ST | Rhomboid-1 | 2IC8 | g+ | (−63, −29) | S-H | N | si | 113 | (73) |
Halomethyl ketone (HMK) inactivators give rise to unusually small αcat values. See text for details.