5FRB
Crystal structure of sterol 14-alpha demethylase (CYP51B) from a pathogenic filamentous fungus Aspergillus fumigatus in complex with a tetrazole-based inhibitor VT-1598
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 | 0006629 | biological_process | lipid metabolic process |
| A | 0006694 | biological_process | steroid biosynthetic process |
| A | 0006696 | biological_process | ergosterol biosynthetic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008398 | molecular_function | sterol 14-demethylase activity |
| A | 0016126 | biological_process | sterol biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0016740 | molecular_function | transferase activity |
| A | 0020037 | molecular_function | heme binding |
| A | 0032259 | biological_process | methylation |
| A | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE HEM A 580 |
| Chain | Residue |
| A | TYR136 |
| A | HIS461 |
| A | CYS463 |
| A | VT2590 |
| A | LEU143 |
| A | LYS147 |
| A | LEU304 |
| A | SER311 |
| A | ILE376 |
| A | ARG378 |
| A | PRO455 |
| A | PHE456 |
| site_id | AC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE VT2 A 590 |
| Chain | Residue |
| A | GLY69 |
| A | PHE130 |
| A | TYR136 |
| A | ALA303 |
| A | ALA307 |
| A | HIS374 |
| A | TYR500 |
| A | SER501 |
| A | SER502 |
| A | LEU503 |
| A | 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 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | Binding site: {"description":"axial binding residue","evidences":[{"source":"PDB","id":"4UYL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4UYM","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FRB","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
