3U0S
Crystal Structure of an Enzyme Redesigned Through Multiplayer Online Gaming: CE6
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EPE A 338 |
| Chain | Residue |
| A | SER39 |
| A | LEU42 |
| A | THR43 |
| A | GLN208 |
| A | LYS238 |
| A | TRP257 |
| A | HOH378 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 339 |
| Chain | Residue |
| B | PRO48 |
| B | TYR52 |
| A | PHE324 |
| A | GLY325 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 340 |
| Chain | Residue |
| A | LEU42 |
| A | LEU161 |
| A | LYS238 |
| B | PHE327 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 341 |
| Chain | Residue |
| A | PHE165 |
| A | HOH403 |
| B | LYS27 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 342 |
| Chain | Residue |
| A | TYR82 |
| A | ASP249 |
| A | ARG312 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 343 |
| Chain | Residue |
| A | ARG162 |
| B | LYS323 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 344 |
| Chain | Residue |
| A | LYS53 |
| A | ARG56 |
| A | LYS273 |
| A | HOH462 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE EPE B 338 |
| Chain | Residue |
| B | LEU42 |
| B | THR43 |
| B | GLN208 |
| B | LYS238 |
| B | TRP257 |
| B | HOH356 |
| B | HOH452 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 339 |
| Chain | Residue |
| B | ILE224 |
| B | LYS227 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL B 340 |
| Chain | Residue |
| B | GLU163 |
| site_id | BC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL B 341 |
| Chain | Residue |
| B | PHE324 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE NA B 342 |
| Chain | Residue |
| B | GLU248 |
| B | ASP249 |
| B | SO4344 |
| site_id | BC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE NA B 343 |
| Chain | Residue |
| B | TYR82 |
| B | PRO154 |
| B | GLN311 |
| B | SO4344 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 344 |
| Chain | Residue |
| B | TYR82 |
| B | ASP249 |
| B | ARG312 |
| B | NA342 |
| B | NA343 |
| site_id | BC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 345 |
| Chain | Residue |
| A | LYS323 |
| B | ARG162 |
| site_id | BC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 346 |
| Chain | Residue |
| B | LYS53 |
| B | ARG56 |
| B | LYS273 |
| B | HOH467 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000269|PubMed:15966726 |
| Chain | Residue | Details |
| A | HIS300 | |
| B | HIS300 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 8 |
| Details | BINDING: BINDING => ECO:0000305 |
| Chain | Residue | Details |
| A | THR21 | |
| A | ALA133 | |
| A | ALA188 | |
| A | ALA242 | |
| B | THR21 | |
| B | ALA133 | |
| B | ALA188 | |
| B | ALA242 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11435114, ECO:0000269|PubMed:14501113 |
| Chain | Residue | Details |
| B | LEU286 | |
| B | HIS287 | |
| A | ASP245 | |
| A | LEU286 | |
| A | HIS287 | |
| B | ASP245 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| A | LEU38 | 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 |
| A | THR21 | increase nucleophilicity, metal ligand, proton acceptor |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 686 |
| Chain | Residue | Details |
| B | LEU38 | electrostatic stabiliser, increase basicity |
| 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 |
| B | THR21 | increase nucleophilicity, metal ligand, proton acceptor |
