4RRT
Crystal structure of a human cytochrome P450 2B6 (Y226H/K262R) in complex with (+)-3-carene
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0005506 | molecular_function | iron ion binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005789 | cellular_component | endoplasmic reticulum membrane |
| A | 0006805 | biological_process | xenobiotic metabolic process |
| A | 0008202 | biological_process | steroid metabolic process |
| A | 0008390 | molecular_function | testosterone 16-alpha-hydroxylase activity |
| A | 0008392 | molecular_function | arachidonate epoxygenase activity |
| A | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| A | 0016712 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen |
| A | 0019373 | biological_process | epoxygenase P450 pathway |
| A | 0020037 | molecular_function | heme binding |
| A | 0042178 | biological_process | xenobiotic catabolic process |
| A | 0042180 | biological_process | ketone metabolic process |
| A | 0062184 | molecular_function | testosterone 16-beta-hydroxylase activity |
| A | 0062187 | molecular_function | anandamide 8,9 epoxidase activity |
| A | 0062188 | molecular_function | anandamide 11,12 epoxidase activity |
| A | 0062189 | molecular_function | anandamide 14,15 epoxidase activity |
| A | 0101021 | molecular_function | estrogen 2-hydroxylase activity |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0005506 | molecular_function | iron ion binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005789 | cellular_component | endoplasmic reticulum membrane |
| B | 0006805 | biological_process | xenobiotic metabolic process |
| B | 0008202 | biological_process | steroid metabolic process |
| B | 0008390 | molecular_function | testosterone 16-alpha-hydroxylase activity |
| B | 0008392 | molecular_function | arachidonate epoxygenase activity |
| B | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| B | 0016712 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen |
| B | 0019373 | biological_process | epoxygenase P450 pathway |
| B | 0020037 | molecular_function | heme binding |
| B | 0042178 | biological_process | xenobiotic catabolic process |
| B | 0042180 | biological_process | ketone metabolic process |
| B | 0062184 | molecular_function | testosterone 16-beta-hydroxylase activity |
| B | 0062187 | molecular_function | anandamide 8,9 epoxidase activity |
| B | 0062188 | molecular_function | anandamide 11,12 epoxidase activity |
| B | 0062189 | molecular_function | anandamide 14,15 epoxidase activity |
| B | 0101021 | molecular_function | estrogen 2-hydroxylase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEM A 501 |
| Chain | Residue |
| A | ARG98 |
| A | LEU362 |
| A | VAL367 |
| A | HIS369 |
| A | LEU392 |
| A | PRO428 |
| A | PHE429 |
| A | SER430 |
| A | ARG434 |
| A | CYS436 |
| A | LEU437 |
| A | VAL113 |
| A | GLY438 |
| A | 3V4502 |
| A | HOH663 |
| A | ILE114 |
| A | TRP121 |
| A | ARG125 |
| A | ILE179 |
| A | ALA298 |
| A | THR302 |
| A | THR306 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE 3V4 A 502 |
| Chain | Residue |
| A | PHE297 |
| A | ALA298 |
| A | THR302 |
| A | VAL367 |
| A | HEM501 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CM5 A 503 |
| Chain | Residue |
| A | PHE220 |
| A | PHE223 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CM5 A 504 |
| Chain | Residue |
| A | GLU194 |
| A | MET198 |
| A | PHE202 |
| A | TYR244 |
| A | PHE296 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CM5 A 505 |
| Chain | Residue |
| A | LEU43 |
| A | MET46 |
| A | ARG48 |
| A | GLY50 |
| A | GLN215 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 506 |
| Chain | Residue |
| A | HOH790 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 507 |
| Chain | Residue |
| A | HOH789 |
| site_id | AC8 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE HEM B 501 |
| Chain | Residue |
| B | ARG98 |
| B | VAL113 |
| B | ILE114 |
| B | TRP121 |
| B | ARG125 |
| B | ILE179 |
| B | ALA298 |
| B | THR302 |
| B | THR306 |
| B | GLN357 |
| B | LEU362 |
| B | HIS369 |
| B | LEU392 |
| B | PRO428 |
| B | PHE429 |
| B | SER430 |
| B | ARG434 |
| B | CYS436 |
| B | LEU437 |
| B | GLY438 |
| B | 3V4502 |
| B | HOH612 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE 3V4 B 502 |
| Chain | Residue |
| B | PHE297 |
| B | ALA298 |
| B | VAL367 |
| B | HEM501 |
| site_id | BC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CM5 B 503 |
| Chain | Residue |
| B | PHE220 |
| B | PHE223 |
| site_id | BC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE CM5 B 504 |
| Chain | Residue |
| A | LYS384 |
| A | HOH810 |
| B | GLU194 |
| B | MET198 |
| B | PHE202 |
| B | TYR244 |
| B | HIS247 |
| B | PHE296 |
| B | HOH796 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE CM5 B 505 |
| Chain | Residue |
| B | LEU43 |
| B | MET46 |
| B | ASP47 |
| B | ARG48 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSlGKRICLG |
| Chain | Residue | Details |
| A | PHE429-GLY438 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"axial binding residue"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by PKA","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
