3I1C
Crystal Structure of a Novel Engineered Diels-Alderase: DA_20_00_A74I
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 325 |
| Chain | Residue |
| A | ASP100 |
| A | LYS151 |
| A | ALA170 |
| A | PHE171 |
| A | GLU194 |
| A | TRP201 |
| A | LYS214 |
| A | HOH461 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:15966726 |
| Chain | Residue | Details |
| A | HIS287 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | ALA21 | |
| A | ALA120 | |
| A | ALA175 | |
| A | ALA229 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11435114, ECO:0000269|PubMed:14501113 |
| Chain | Residue | Details |
| A | ASP232 | |
| A | LEU273 | |
| A | HIS274 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1e1a |
| Chain | Residue | Details |
| A | HIS287 | |
| A | TYR37 |
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| A | ALA21 | increase nucleophilicity, metal ligand, proton acceptor |
| A | TYR37 | electrostatic stabiliser, increase basicity |
| A | ALA120 | metal ligand |
| A | ALA175 | metal ligand |
| A | ALA229 | covalently attached, electrofuge, electrophile, increase nucleophilicity, metal ligand, nucleophile, proton acceptor |
| A | HIS287 | increase nucleophilicity, proton acceptor |
