2J1M
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 | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1457 |
| Chain | Residue |
| A | ASP338 |
| A | GLU348 |
| A | HOH2500 |
| B | ASP23 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN A 1458 |
| Chain | Residue |
| A | ILE174 |
| A | HIS266 |
| A | HOH2501 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN A 1459 |
| Chain | Residue |
| A | HOH2502 |
| A | HIS138 |
| A | GLU140 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN A 1460 |
| Chain | Residue |
| A | GLU373 |
| A | HOH2503 |
| A | HOH2504 |
| B | HIS92 |
| B | LYS336 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1461 |
| Chain | Residue |
| A | ASP231 |
| A | HIS236 |
| A | HOH2470 |
| A | HOH2505 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1457 |
| Chain | Residue |
| A | HIS285 |
| B | ASP338 |
| B | GLU348 |
| B | HOH2450 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN B 1458 |
| Chain | Residue |
| B | ASP231 |
| B | HIS236 |
| B | HIS285 |
| site_id | AC8 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HEM A 1456 |
| Chain | Residue |
| A | LYS69 |
| A | LEU86 |
| A | PHE87 |
| A | TRP96 |
| A | ILE153 |
| A | ALA264 |
| A | THR268 |
| A | THR327 |
| A | PHE331 |
| A | PRO392 |
| A | PHE393 |
| A | GLY394 |
| A | ARG398 |
| A | ALA399 |
| A | CYS400 |
| A | ILE401 |
| A | ALA406 |
| A | DMS1462 |
| A | HOH2145 |
| A | HOH2425 |
| A | HOH2496 |
| A | HOH2497 |
| A | HOH2498 |
| A | HOH2499 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS A 1462 |
| Chain | Residue |
| A | ALA264 |
| A | THR268 |
| A | HEM1456 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A 1463 |
| Chain | Residue |
| A | TRP130 |
| A | LEU133 |
| A | ALA448 |
| A | LYS449 |
| A | SER450 |
| A | HOH2191 |
| site_id | BC2 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE HEM B 1456 |
| Chain | Residue |
| B | LYS69 |
| B | LEU86 |
| B | PHE87 |
| B | TRP96 |
| B | ILE153 |
| B | ALA264 |
| B | THR268 |
| B | THR269 |
| B | THR327 |
| B | ALA328 |
| B | PHE331 |
| B | PRO392 |
| B | PHE393 |
| B | GLY394 |
| B | ARG398 |
| B | ALA399 |
| B | CYS400 |
| B | ILE401 |
| B | GLY402 |
| B | DMS1459 |
| B | HOH2120 |
| B | HOH2334 |
| B | HOH2446 |
| B | HOH2447 |
| B | HOH2448 |
| B | HOH2449 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B 1459 |
| Chain | Residue |
| B | PHE87 |
| B | ALA264 |
| B | THR268 |
| B | HEM1456 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B 1460 |
| Chain | Residue |
| B | GLU131 |
| B | LEU133 |
| B | ALA448 |
| B | LYS449 |
| B | SER450 |
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 | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1akd |
| Chain | Residue | Details |
| A | THR268 | |
| A | GLU267 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1akd |
| Chain | Residue | Details |
| B | THR268 | |
| B | GLU267 |
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 699 |
| Chain | Residue | Details |
| A | THR268 | electrostatic stabiliser, steric role |
| A | PHE393 | electrostatic stabiliser, steric role |
| A | CYS400 | electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 3 |
| Details | M-CSA 699 |
| Chain | Residue | Details |
| B | THR268 | electrostatic stabiliser, steric role |
| B | PHE393 | electrostatic stabiliser, steric role |
| B | CYS400 | electrostatic stabiliser |
