4O5S
Crystal structure of Diels-Alderase CE11
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PubMed","id":"15966726","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11435114","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"14501113","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| A | THR21 | increase nucleophilicity, metal ligand, proton acceptor |
| A | GLU50 | electrostatic stabiliser, increase basicity |
| A | ALA133 | metal ligand |
| A | ALA188 | metal ligand |
| A | ALA242 | covalently attached, electrofuge, electrophile, increase nucleophilicity, metal ligand, nucleophile, proton acceptor |
| A | HIS300 | increase nucleophilicity, proton acceptor |
| site_id | MCSA2 |
| Number of Residues | 5 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| B | THR21 | increase nucleophilicity, metal ligand, proton acceptor |
| B | ALA133 | metal ligand |
| B | ALA188 | metal ligand |
| B | ALA242 | covalently attached, electrofuge, electrophile, increase nucleophilicity, metal ligand, nucleophile, proton acceptor |
| B | HIS300 | increase nucleophilicity, proton acceptor |
