4UYL
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with VNI
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006696 | biological_process | ergosterol biosynthetic process |
| A | 0008398 | molecular_function | sterol 14-demethylase activity |
| A | 0016126 | biological_process | sterol biosynthetic process |
| 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 | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0006696 | biological_process | ergosterol biosynthetic process |
| B | 0008398 | molecular_function | sterol 14-demethylase activity |
| B | 0016126 | biological_process | sterol biosynthetic process |
| 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 | 15 |
| Details | BINDING SITE FOR RESIDUE HEM A 580 |
| Chain | Residue |
| A | TYR136 |
| A | PHE456 |
| A | GLY457 |
| A | HIS461 |
| A | CYS463 |
| A | GLY465 |
| A | VNI590 |
| A | LEU143 |
| A | LYS147 |
| A | SER311 |
| A | LEU367 |
| A | ILE373 |
| A | ILE376 |
| A | ARG378 |
| A | PRO455 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE VNI A 590 |
| Chain | Residue |
| A | VAL121 |
| A | TYR122 |
| A | LEU125 |
| A | PHE130 |
| A | PHE234 |
| A | ALA303 |
| A | MET306 |
| A | ALA307 |
| A | LEU503 |
| A | HEM580 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE HEM B 580 |
| Chain | Residue |
| B | TYR136 |
| B | LYS147 |
| B | SER311 |
| B | ARG378 |
| B | PRO455 |
| B | PHE456 |
| B | HIS461 |
| B | CYS463 |
| B | VNI590 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE VNI B 590 |
| Chain | Residue |
| B | VAL121 |
| B | TYR122 |
| B | ALA303 |
| B | MET306 |
| B | ALA307 |
| B | ILE377 |
| B | HEM580 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGaGRHRCIG |
| Chain | Residue | Details |
| A | PHE456-GLY465 |
