2J4S
P450 BM3 heme domain in complex with DMSO
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0020037 | molecular_function | heme binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0020037 | molecular_function | heme binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN B1457 |
| Chain | Residue |
| A | ASP338 |
| A | GLU348 |
| B | ASP23 |
| site_id | AC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE HEM A1456 |
| Chain | Residue |
| A | GLY265 |
| A | THR268 |
| A | THR269 |
| A | THR327 |
| A | PHE331 |
| A | PRO392 |
| A | PHE393 |
| A | GLY394 |
| A | ARG398 |
| A | ALA399 |
| A | CYS400 |
| A | ILE401 |
| A | PHE405 |
| A | ALA406 |
| A | HOH2239 |
| A | HOH2240 |
| A | HOH2241 |
| A | HOH2242 |
| A | HOH2243 |
| A | HOH2244 |
| A | HOH2245 |
| A | LYS69 |
| A | LEU86 |
| A | PHE87 |
| A | TRP96 |
| A | PHE107 |
| A | ALA264 |
| site_id | AC3 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE HEM B1456 |
| Chain | Residue |
| B | LYS69 |
| B | LEU86 |
| B | PHE87 |
| B | TRP96 |
| B | PHE107 |
| B | ALA264 |
| B | GLY265 |
| B | THR268 |
| B | THR269 |
| B | LEU272 |
| B | THR327 |
| B | PHE331 |
| B | PRO392 |
| B | PHE393 |
| B | GLY394 |
| B | ARG398 |
| B | ALA399 |
| B | CYS400 |
| B | ILE401 |
| B | GLY402 |
| B | ALA406 |
| B | HOH2204 |
| B | HOH2205 |
| B | HOH2207 |
| B | HOH2208 |
| B | HOH2209 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A1457 |
| Chain | Residue |
| A | LYS24 |
| A | GLN27 |
| A | LYS31 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A1458 |
| Chain | Residue |
| A | ALA74 |
| A | MET354 |
| A | HOH2246 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B1458 |
| Chain | Residue |
| B | GLN27 |
| B | LYS31 |
| B | PEG1459 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B1459 |
| Chain | Residue |
| A | VAL48 |
| B | LYS31 |
| B | PEG1458 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PEG B1460 |
| Chain | Residue |
| A | TRP90 |
| A | HIS92 |
| A | GLY350 |
| B | PRO18 |
| B | ASN21 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGnGQRACIG |
| Chain | Residue | Details |
| A | PHE393-GLY402 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15020590, ECO:0007744|PDB:1SMJ |
| Chain | Residue | Details |
| A | LEU52 | |
| B | LEU52 |
| Chain | Residue | Details |
| A | ILE401 | |
| B | ILE401 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | SITE: Important for catalytic activity => ECO:0000305|PubMed:16403573, ECO:0000305|PubMed:7578081 |
| Chain | Residue | Details |
| A | THR269 | |
| B | THR269 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 699 |
| Chain | Residue | Details |
| A | THR269 | electrostatic stabiliser, steric role |
| A | GLY394 | electrostatic stabiliser, steric role |
| A | ILE401 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 699 |
| Chain | Residue | Details |
| B | THR269 | electrostatic stabiliser, steric role |
| B | GLY394 | electrostatic stabiliser, steric role |
| B | ILE401 | electrostatic stabiliser |
