4EGM
The X-ray crystal structure of CYP199A4 in complex with 4-ethylbenzoic acid
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 |
| A | 0046872 | molecular_function | metal ion 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 |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0005506 | molecular_function | iron ion binding |
| C | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| C | 0020037 | molecular_function | heme binding |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0005506 | molecular_function | iron ion binding |
| D | 0016705 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen |
| D | 0020037 | molecular_function | heme binding |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE HEM A 501 |
| Chain | Residue |
| A | ILE97 |
| A | ARG300 |
| A | GLY350 |
| A | PHE351 |
| A | GLY352 |
| A | HIS356 |
| A | CYS358 |
| A | GLY360 |
| A | ALA364 |
| A | EGM502 |
| A | HOH660 |
| A | LEU98 |
| A | HIS105 |
| A | ARG109 |
| A | ALA248 |
| A | GLY249 |
| A | THR252 |
| A | THR253 |
| A | VAL295 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EGM A 502 |
| Chain | Residue |
| A | ARG92 |
| A | SER95 |
| A | LEU98 |
| A | PHE182 |
| A | SER244 |
| A | SER247 |
| A | ALA248 |
| A | HEM501 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL A 503 |
| Chain | Residue |
| A | TYR177 |
| A | GLN203 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 504 |
| Chain | Residue |
| A | SER113 |
| A | LEU116 |
| A | SER117 |
| A | GLN361 |
| A | SO4505 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 505 |
| Chain | Residue |
| A | ARG109 |
| A | SER113 |
| A | GOL504 |
| C | LYS114 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 506 |
| Chain | Residue |
| A | PHE267 |
| A | PRO268 |
| A | GLY269 |
| A | GLU270 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 507 |
| Chain | Residue |
| A | ARG78 |
| A | LYS86 |
| A | GLU315 |
| A | GLY316 |
| C | THR40 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 508 |
| Chain | Residue |
| A | ASP32 |
| A | TYR262 |
| A | ARG390 |
| site_id | AC9 |
| Number of Residues | 17 |
| Details | BINDING SITE FOR RESIDUE HEM B 501 |
| Chain | Residue |
| B | ILE97 |
| B | LEU98 |
| B | HIS105 |
| B | ARG109 |
| B | LEU245 |
| B | ALA248 |
| B | GLY249 |
| B | THR252 |
| B | THR253 |
| B | ARG300 |
| B | GLY350 |
| B | PHE351 |
| B | GLY352 |
| B | HIS356 |
| B | CYS358 |
| B | GLY360 |
| B | EGM502 |
| site_id | BC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EGM B 502 |
| Chain | Residue |
| B | ARG92 |
| B | SER95 |
| B | LEU98 |
| B | PHE182 |
| B | SER244 |
| B | SER247 |
| B | ALA248 |
| B | HEM501 |
| site_id | BC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL B 503 |
| Chain | Residue |
| B | TYR177 |
| B | GLN203 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 504 |
| Chain | Residue |
| B | SER113 |
| B | SER117 |
| B | GLN361 |
| B | LEU362 |
| B | SO4505 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 505 |
| Chain | Residue |
| B | ARG109 |
| B | SER113 |
| B | GOL504 |
| B | HOH648 |
| D | LYS114 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 506 |
| Chain | Residue |
| B | PHE267 |
| B | PRO268 |
| B | GLY269 |
| B | GLU270 |
| site_id | BC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 507 |
| Chain | Residue |
| B | ARG78 |
| B | LYS86 |
| B | LYS87 |
| B | GLU315 |
| B | GLY316 |
| D | THR40 |
| site_id | BC7 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE HEM C 501 |
| Chain | Residue |
| C | HIS105 |
| C | ARG109 |
| C | ALA248 |
| C | GLY249 |
| C | THR252 |
| C | THR253 |
| C | VAL295 |
| C | PHE298 |
| C | ARG300 |
| C | GLY350 |
| C | PHE351 |
| C | GLY352 |
| C | HIS356 |
| C | CYS358 |
| C | VAL359 |
| C | GLY360 |
| C | ALA364 |
| C | EGM502 |
| C | HOH646 |
| C | ILE97 |
| C | LEU98 |
| site_id | BC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE EGM C 502 |
| Chain | Residue |
| C | ARG92 |
| C | SER95 |
| C | LEU98 |
| C | PHE182 |
| C | SER244 |
| C | SER247 |
| C | ALA248 |
| C | PHE298 |
| C | HEM501 |
| C | HOH645 |
| site_id | BC9 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE CL C 503 |
| Chain | Residue |
| C | TYR177 |
| site_id | CC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL C 504 |
| Chain | Residue |
| C | SER113 |
| C | LEU116 |
| C | SER117 |
| C | PRO118 |
| C | GLN361 |
| C | SO4505 |
| site_id | CC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 505 |
| Chain | Residue |
| A | LYS114 |
| C | ARG109 |
| C | SER113 |
| C | GOL504 |
| C | HOH608 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 506 |
| Chain | Residue |
| C | SER27 |
| C | LEU28 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 507 |
| Chain | Residue |
| C | LYS167 |
| C | GLN168 |
| C | GLU169 |
| site_id | CC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 C 508 |
| Chain | Residue |
| A | ARG107 |
| C | ARG107 |
| site_id | CC6 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE HEM D 501 |
| Chain | Residue |
| D | ILE97 |
| D | LEU98 |
| D | HIS105 |
| D | ARG109 |
| D | LEU116 |
| D | LEU245 |
| D | ALA248 |
| D | GLY249 |
| D | THR252 |
| D | THR253 |
| D | VAL295 |
| D | PHE298 |
| D | ARG300 |
| D | GLY350 |
| D | PHE351 |
| D | GLY352 |
| D | HIS356 |
| D | CYS358 |
| D | VAL359 |
| D | GLY360 |
| D | ALA364 |
| D | EGM502 |
| D | HOH636 |
| D | HOH644 |
| site_id | CC7 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EGM D 502 |
| Chain | Residue |
| D | ARG92 |
| D | SER95 |
| D | PHE182 |
| D | SER244 |
| D | SER247 |
| D | ALA248 |
| D | HEM501 |
| D | HOH634 |
| site_id | CC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CL D 503 |
| Chain | Residue |
| D | TYR177 |
| D | GLN203 |
| site_id | CC9 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL D 504 |
| Chain | Residue |
| D | ARG109 |
| D | SER113 |
| D | LEU116 |
| D | SER117 |
| D | VAL359 |
| D | GLN361 |
| D | SO4505 |
| site_id | DC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 505 |
| Chain | Residue |
| B | LYS114 |
| D | ARG109 |
| D | SER113 |
| D | GOL504 |
| site_id | DC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 D 506 |
| Chain | Residue |
| D | ARG60 |
| D | SO4507 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 507 |
| Chain | Residue |
| D | THR17 |
| D | GLY309 |
| D | SO4506 |
| site_id | DC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 508 |
| Chain | Residue |
| B | ARG107 |
| D | ARG107 |
| D | HOH641 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGsGVHMCVG |
| Chain | Residue | Details |
| A | PHE351-GLY360 |
