4JLL
Crystal Structure of the evolved variant of the computationally designed serine hydrolase, OSH55.4_H1 covalently bound with FP-alkyne, Northeast Structural Genomics Consortium (NESG) Target OR273
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE SEF A 201 |
| Chain | Residue |
| A | ILE4 |
| A | VAL145 |
| A | HIS146 |
| A | SER151 |
| A | TYR155 |
| A | ALA158 |
| A | HOH384 |
| A | HOH393 |
| A | PHE110 |
| A | THR111 |
| A | SER112 |
| A | HIS126 |
| A | MET129 |
| A | GLY130 |
| A | ILE133 |
| A | GLY144 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CL A 202 |
| Chain | Residue |
| A | THR111 |
| A | TRP116 |
| A | EDO204 |
| A | HOH312 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO A 203 |
| Chain | Residue |
| A | ASP10 |
| A | GLY32 |
| A | VAL33 |
| A | EDO207 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 204 |
| Chain | Residue |
| A | VAL33 |
| A | THR111 |
| A | SER112 |
| A | TRP113 |
| A | GLY114 |
| A | ALA115 |
| A | CL202 |
| A | EDO207 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE EDO A 205 |
| Chain | Residue |
| A | GLY41 |
| A | GLY42 |
| A | PRO43 |
| A | SER44 |
| A | GLY66 |
| A | HOH401 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 206 |
| Chain | Residue |
| A | SER112 |
| A | GLY114 |
| A | VAL117 |
| A | HIS126 |
| A | TYR155 |
| A | HOH361 |
| A | HOH368 |
| A | HOH461 |
| A | HOH498 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO A 207 |
| Chain | Residue |
| A | GLY9 |
| A | ASP10 |
| A | ILE11 |
| A | VAL145 |
| A | HIS146 |
| A | GLY147 |
| A | EDO203 |
| A | EDO204 |
| site_id | AC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE PEG A 208 |
| Chain | Residue |
| A | VAL7 |
| A | GLY9 |
| A | ASP10 |
| A | ILE11 |
| A | GLU13 |
| A | PHE14 |
| A | VAL145 |
| A | HOH403 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE GOL A 209 |
| Chain | Residue |
| A | ALA36 |
| A | ARG39 |
| A | GLY114 |
| A | ALA115 |
| A | VAL117 |
| A | GLY118 |
| A | HOH326 |
| A | HOH347 |
| A | HOH469 |
| site_id | BC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE GOL A 210 |
| Chain | Residue |
| A | LEU38 |
| A | PRO43 |
| A | GLN46 |
| A | GLU47 |
| A | GLY80 |
| A | ASP81 |
| A | GLU82 |
| A | PRO83 |
| A | HOH311 |
| A | HOH315 |
| A | HOH337 |
| A | HOH362 |
| A | HOH371 |
