Table 1.
Splitting events that separate ECs that depend on metal ions from those that do not. The first column reports the CATH code of each superfamily. The second column indicates whether the role of the metal in catalysis is conserved across subgroups. The third column indicates whether the metal ion has a redox role within the catalytic mechanism. The fourth column reports the chemical identity of the metal ions. Superfamily members that do not depend on metal ions are indicated as “Apo”. EC numbers associated to enzymes that bind different metal ions e.g. in different organisms, are reported on the same line, with a list of all their metal ions separated by “/”. The fifth column reports the level of functional differentiation for the splitting event. The sixth column reports the different EC numbers within the subgroups formed by the present splitting event. Note that subgroups containing multiple ECs will be further separated in the next tables following the pipeline of Fig. 1. The last column reports a short mention of the role(s) of metal(s) within the catalytic mechanism. In this table, the mechanistic details given in the last column refer only to the metal-dependent superfamily members.
| CATH code | Metal role conserved | Redox role | Ion(s) | EC diversity | EC(s) | Mechanism |
|---|---|---|---|---|---|---|
| 3.20.20.190 | No | No | Ca | L4 | 3.1.4.11 3.1.4.46 |
Stabilizes charges and increases electrophilicity of substrate |
| Apo | 3.1.4.10 | |||||
| 3.40.50.720 | No | No | Mg | L2 | 1.1.1.38 1.1.1.39 1.1.1.40 |
Stabilizes charges and increases substrate acidity |
| Apo | 1.4.1.2 1.4.1.3 1.2.1.12 |
|||||
| 3.90.180.10 | No | No | Zn | L2 | 1.1.1.1 1.1.1.284 1.1.1.103 1.1.1.14 |
Increases substrate acidity |
| Apo | 1.6.5.5 | |||||
| 2.60.120.10 | No | No | Zn/Cu/ Mg/Mn |
L1 | 5.3.1.8 5.3.1.17 1.13.11.24 1.13.11.5 2.7.7.22 4.1.1.2 |
Stabilizes charges or radical intermediates |
| Apo | 5.1.3.13 | |||||
| 3.40.140.10 | No | No | Zn | L1 | 3.5.4.5 3.5.4.2 3.5.4.12 |
Increases acidity and nucleophilicity of a water molecule |
| Apo | 2.7.4.7 | |||||
| 2.120.10.30 | No | No | Ca | L1 | 1.1.5.2 3.1.1.17 |
Stabilizes charges and increases substrate acidity |
| Apo | 2.7.11.1 | |||||
| 2.160.20.10 | No | No | Ca | L1 | 4.2.2.2 | Stabilizes charges and increases substrate acidity |
| Apo | 3.1.1.11 3.2.1.15 |
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| 3.20.20.70 | No | No | Mg/Zn/Fe/Co/Mn | L1 | 4.1.1.85 4.2.1.24 2.3.3.13 5.1.3.1 4.1.2.13 6.4.1.1 2.5.1.54 |
Increases substrate acidity and stabilizes charges |
| Apo | 1.1.1.205 1.1.2.3 2.2.1.2 4.2.1.52 5.3.1.1 |
|||||
| 3.30.1130.10 | No | No | Zn | L1 | 3.5.4.16 | Increases acidity and nucleophilicity of a water molecule |
| Apo | 1.7.1.13 4.1.2.25 |
|||||
| 3.40.50.620 | No | No | Mg | L1 | 6.1.1.17 6.1.1.16 6.1.1.19 6.1.1.9 6.3.1.5 6.3.3.4 |
Stabilizes charges and increases electrophilicity of substrate |
| Apo | 6.3.5.2 2.7.7.3 2.7.7.4 2.7.7.18 |
|||||
| 3.20.20.120 | No | No | Mg/Mn | L1 | 4.2.1.11 4.2.1.113 4.2.1.40 4.2.1.6 5.5.1.1 5.1.2.2 |
Stabilizes charges and increases substrate acidity |
| Apo | 1.17.7.1 | |||||
| 1.10.606.10 | No | No | V | L1 | 1.11.1.10 1.11.1.18 |
Stabilizes charges and increases electrophilicity of substrate |
| Apo | 3.1.3.4 | |||||
| 3.40.718.10 | No | No | Mg/Zn | L1 | 1.1.1.42 1.1.1.85 1.1.1.262 |
Stabilizes charges and increases substrate acidity |
| Apo | 2.3.1.8 |