6UX0
Isavuconazole bound complex of Acanthamoeba castellanii CYP51
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0016020 | cellular_component | membrane |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0020037 | molecular_function | heme binding |
| A | 0032259 | biological_process | methylation |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0016020 | cellular_component | membrane |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0020037 | molecular_function | heme binding |
| B | 0032259 | biological_process | methylation |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0016020 | cellular_component | membrane |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| C | 0020037 | molecular_function | heme binding |
| C | 0032259 | biological_process | methylation |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0016020 | cellular_component | membrane |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| D | 0020037 | molecular_function | heme binding |
| D | 0032259 | biological_process | methylation |
| D | 0046872 | molecular_function | metal ion binding |
| E | 0004497 | molecular_function | monooxygenase activity |
| E | 0005506 | molecular_function | iron ion binding |
| E | 0008168 | molecular_function | methyltransferase activity |
| E | 0016020 | cellular_component | membrane |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| E | 0020037 | molecular_function | heme binding |
| E | 0032259 | biological_process | methylation |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0004497 | molecular_function | monooxygenase activity |
| F | 0005506 | molecular_function | iron ion binding |
| F | 0008168 | molecular_function | methyltransferase activity |
| F | 0016020 | cellular_component | membrane |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| F | 0020037 | molecular_function | heme binding |
| F | 0032259 | biological_process | methylation |
| F | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 18 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | GLN110 |
| A | LEU357 |
| A | ARG368 |
| A | GLY426 |
| A | PHE427 |
| A | GLY428 |
| A | HIS432 |
| A | GLY433 |
| A | CYS434 |
| A | QKM502 |
| A | TYR114 |
| A | TYR127 |
| A | LEU138 |
| A | LEU291 |
| A | ALA294 |
| A | GLY295 |
| A | THR298 |
| A | SER299 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue QKM A 502 |
| Chain | Residue |
| A | TYR114 |
| A | PHE121 |
| A | TYR127 |
| A | ALA290 |
| A | PHE293 |
| A | ALA294 |
| A | THR298 |
| A | LEU363 |
| A | PHE365 |
| A | HEM501 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | GLN110 |
| B | TYR114 |
| B | TYR127 |
| B | LEU145 |
| B | LEU291 |
| B | THR298 |
| B | SER299 |
| B | LEU357 |
| B | LEU363 |
| B | ARG368 |
| B | GLY426 |
| B | PHE427 |
| B | GLY428 |
| B | HIS432 |
| B | GLY433 |
| B | CYS434 |
| B | GLY436 |
| B | QKM502 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue QKM B 502 |
| Chain | Residue |
| B | TYR114 |
| B | TYR127 |
| B | ALA290 |
| B | PHE293 |
| B | ALA294 |
| B | THR298 |
| B | LEU363 |
| B | PHE365 |
| B | HEM501 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue FE B 503 |
| Chain | Residue |
| B | PHE84 |
| C | PHE84 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | binding site for residue HEM C 501 |
| Chain | Residue |
| C | GLN110 |
| C | TYR114 |
| C | TYR127 |
| C | LEU138 |
| C | THR298 |
| C | SER299 |
| C | ARG368 |
| C | GLY426 |
| C | PHE427 |
| C | GLY428 |
| C | HIS432 |
| C | CYS434 |
| C | GLY436 |
| C | PHE439 |
| C | QKM502 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | binding site for residue QKM C 502 |
| Chain | Residue |
| C | TYR114 |
| C | PHE116 |
| C | PHE121 |
| C | TYR127 |
| C | ALA290 |
| C | PHE293 |
| C | ALA294 |
| C | THR298 |
| C | LEU363 |
| C | MET367 |
| C | MET471 |
| C | HEM501 |
| site_id | AC8 |
| Number of Residues | 19 |
| Details | binding site for residue HEM D 501 |
| Chain | Residue |
| D | HIS432 |
| D | CYS434 |
| D | MET435 |
| D | QKM502 |
| D | GLN110 |
| D | TYR114 |
| D | TYR127 |
| D | LEU138 |
| D | LEU145 |
| D | LEU291 |
| D | THR298 |
| D | SER299 |
| D | THR302 |
| D | LEU357 |
| D | VAL366 |
| D | ARG368 |
| D | GLY426 |
| D | PHE427 |
| D | GLY428 |
| site_id | AC9 |
| Number of Residues | 13 |
| Details | binding site for residue QKM D 502 |
| Chain | Residue |
| D | TYR114 |
| D | PHE116 |
| D | PHE121 |
| D | TYR127 |
| D | ALA290 |
| D | PHE293 |
| D | ALA294 |
| D | THR298 |
| D | LEU363 |
| D | PHE365 |
| D | MET367 |
| D | MET471 |
| D | HEM501 |
| site_id | AD1 |
| Number of Residues | 18 |
| Details | binding site for residue HEM E 501 |
| Chain | Residue |
| E | GLN110 |
| E | TYR114 |
| E | LEU138 |
| E | LEU291 |
| E | THR298 |
| E | SER299 |
| E | LEU357 |
| E | VAL366 |
| E | ARG368 |
| E | GLY426 |
| E | PHE427 |
| E | GLY428 |
| E | HIS432 |
| E | GLY433 |
| E | CYS434 |
| E | MET435 |
| E | GLY436 |
| E | QKM502 |
| site_id | AD2 |
| Number of Residues | 11 |
| Details | binding site for residue QKM E 502 |
| Chain | Residue |
| E | TYR114 |
| E | TYR127 |
| E | ALA290 |
| E | PHE293 |
| E | ALA294 |
| E | THR298 |
| E | LEU363 |
| E | PHE365 |
| E | MET367 |
| E | MET471 |
| E | HEM501 |
| site_id | AD3 |
| Number of Residues | 17 |
| Details | binding site for residue HEM F 501 |
| Chain | Residue |
| F | GLN110 |
| F | TYR114 |
| F | TYR127 |
| F | LEU291 |
| F | THR298 |
| F | SER299 |
| F | LEU357 |
| F | LEU363 |
| F | ARG368 |
| F | GLY426 |
| F | PHE427 |
| F | HIS432 |
| F | GLY433 |
| F | CYS434 |
| F | GLY436 |
| F | ALA440 |
| F | QKM502 |
| site_id | AD4 |
| Number of Residues | 10 |
| Details | binding site for residue QKM F 502 |
| Chain | Residue |
| F | TYR114 |
| F | PHE116 |
| F | PHE121 |
| F | ALA290 |
| F | PHE293 |
| F | ALA294 |
| F | THR298 |
| F | PHE365 |
| F | MET471 |
| F | HEM501 |
| site_id | AD5 |
| Number of Residues | 2 |
| Details | binding site for residue FE F 503 |
| Chain | Residue |
| E | PHE84 |
| F | PHE84 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGRHGCMG |
| Chain | Residue | Details |
| A | PHE427-GLY436 |
