5YQH
The crystal structure of CYP199A4 binding with 4-n-Propyl benzoic 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 | 21 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | ILE97 |
| A | PHE298 |
| A | ARG300 |
| A | GLY350 |
| A | PHE351 |
| A | GLY352 |
| A | HIS356 |
| A | CYS358 |
| A | VAL359 |
| A | GLY360 |
| A | ALA364 |
| A | LEU98 |
| A | HOH610 |
| A | HOH661 |
| A | HIS105 |
| A | ARG109 |
| A | PHE160 |
| A | ALA248 |
| A | GLY249 |
| A | THR252 |
| A | THR253 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue 8ZX A 502 |
| Chain | Residue |
| A | ARG92 |
| A | SER95 |
| A | LEU98 |
| A | PHE182 |
| A | ARG243 |
| A | SER244 |
| A | SER247 |
| A | ALA248 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue 8ZX A 503 |
| Chain | Residue |
| A | LYS89 |
| A | PRO90 |
| A | TRP91 |
| A | PRO94 |
| C | GLU138 |
| C | GLN141 |
| C | ARG142 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue 8ZX A 504 |
| Chain | Residue |
| A | GLU153 |
| A | LEU175 |
| A | GLY179 |
| A | ASP251 |
| A | ARG391 |
| A | HOH778 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 505 |
| Chain | Residue |
| A | ARG92 |
| A | TYR177 |
| A | GLN203 |
| A | HOH749 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 506 |
| Chain | Residue |
| A | SER113 |
| A | LEU116 |
| A | VAL359 |
| A | GLN361 |
| A | SO4509 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 507 |
| Chain | Residue |
| A | ARG78 |
| A | LYS86 |
| A | LYS87 |
| A | GLU315 |
| A | GLY316 |
| D | THR40 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 508 |
| Chain | Residue |
| A | ARG107 |
| A | HOH612 |
| A | HOH717 |
| A | HOH723 |
| D | ARG107 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 509 |
| Chain | Residue |
| A | ARG109 |
| A | SER113 |
| A | GOL506 |
| A | HOH728 |
| D | LYS114 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 510 |
| Chain | Residue |
| A | HIS65 |
| A | SER353 |
| A | HOH675 |
| A | HOH727 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 511 |
| Chain | Residue |
| A | PHE267 |
| A | PRO268 |
| A | GLY269 |
| A | GLU270 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 512 |
| Chain | Residue |
| A | HOH605 |
| A | HOH609 |
| A | HOH623 |
| A | HOH624 |
| A | HOH714 |
| B | THR40 |
| site_id | AD4 |
| Number of Residues | 24 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | GLY360 |
| B | ALA364 |
| B | 8ZX502 |
| B | HOH612 |
| B | HOH668 |
| B | HOH684 |
| B | ILE97 |
| B | LEU98 |
| B | HIS105 |
| B | ARG109 |
| B | PHE160 |
| B | ALA248 |
| B | GLY249 |
| B | THR252 |
| B | THR253 |
| B | VAL295 |
| B | PHE298 |
| B | ARG300 |
| B | GLY350 |
| B | PHE351 |
| B | GLY352 |
| B | HIS356 |
| B | CYS358 |
| B | VAL359 |
| site_id | AD5 |
| Number of Residues | 10 |
| Details | binding site for residue 8ZX B 502 |
| Chain | Residue |
| B | ARG92 |
| B | SER95 |
| B | LEU98 |
| B | PHE182 |
| B | LEU240 |
| B | ARG243 |
| B | SER244 |
| B | SER247 |
| B | ALA248 |
| B | HEM501 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue 8ZX B 503 |
| Chain | Residue |
| A | PRO46 |
| A | ARG60 |
| B | ARG60 |
| B | ARG331 |
| B | HOH618 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue 8ZX B 504 |
| Chain | Residue |
| B | LEU175 |
| B | PRO176 |
| B | GLY179 |
| B | ASP251 |
| B | ARG391 |
| B | HOH601 |
| site_id | AD8 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 505 |
| Chain | Residue |
| B | ARG92 |
| B | TYR177 |
| B | GLN203 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 506 |
| Chain | Residue |
| B | SER113 |
| B | LEU116 |
| B | SER117 |
| B | VAL359 |
| B | GLN361 |
| B | SO4509 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 507 |
| Chain | Residue |
| B | PHE267 |
| B | PRO268 |
| B | GLY269 |
| B | GLU270 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 508 |
| Chain | Residue |
| B | ARG107 |
| B | HOH642 |
| B | HOH652 |
| B | HOH682 |
| C | ARG107 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 B 509 |
| Chain | Residue |
| B | ARG109 |
| B | SER113 |
| B | GOL506 |
| B | HOH715 |
| C | LYS114 |
| site_id | AE4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 510 |
| Chain | Residue |
| B | HIS65 |
| B | SER353 |
| B | HOH675 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 511 |
| Chain | Residue |
| B | HIS65 |
| B | ALA66 |
| B | HOH627 |
| B | HOH644 |
| site_id | AE6 |
| Number of Residues | 23 |
| Details | binding site for residue HEM C 501 |
| Chain | Residue |
| C | ILE97 |
| C | LEU98 |
| C | HIS105 |
| C | ARG109 |
| C | PHE160 |
| C | ALA248 |
| C | GLY249 |
| C | THR252 |
| C | THR253 |
| C | VAL295 |
| C | ARG300 |
| C | GLY350 |
| C | PHE351 |
| C | GLY352 |
| C | VAL355 |
| C | HIS356 |
| C | CYS358 |
| C | VAL359 |
| C | GLY360 |
| C | ALA364 |
| C | 8ZX502 |
| C | HOH609 |
| C | HOH641 |
| site_id | AE7 |
| Number of Residues | 9 |
| Details | binding site for residue 8ZX C 502 |
| Chain | Residue |
| C | ARG92 |
| C | SER95 |
| C | LEU98 |
| C | PHE182 |
| C | SER244 |
| C | ALA248 |
| C | PHE298 |
| C | HEM501 |
| C | CL503 |
| site_id | AE8 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 503 |
| Chain | Residue |
| C | ARG92 |
| C | ARG243 |
| C | SER247 |
| C | 8ZX502 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 504 |
| Chain | Residue |
| C | SER113 |
| C | LEU116 |
| C | SER117 |
| C | VAL359 |
| C | GLN361 |
| C | SO4506 |
| site_id | AF1 |
| Number of Residues | 3 |
| Details | binding site for residue GOL C 505 |
| Chain | Residue |
| C | ARG60 |
| C | ARG331 |
| C | SO4508 |
| site_id | AF2 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 C 506 |
| Chain | Residue |
| B | LYS114 |
| C | ARG109 |
| C | SER113 |
| C | GOL504 |
| C | HOH664 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 C 507 |
| Chain | Residue |
| C | SER27 |
| C | LEU28 |
| C | HOH618 |
| C | HOH627 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 C 508 |
| Chain | Residue |
| C | PRO46 |
| C | ARG60 |
| C | GOL505 |
| site_id | AF5 |
| Number of Residues | 23 |
| Details | binding site for residue HEM D 501 |
| Chain | Residue |
| D | ILE97 |
| D | LEU98 |
| D | HIS105 |
| D | ARG109 |
| D | PHE160 |
| D | ALA248 |
| D | GLY249 |
| D | THR252 |
| D | THR253 |
| D | PHE298 |
| D | ARG300 |
| D | GLY350 |
| D | PHE351 |
| D | GLY352 |
| D | HIS356 |
| D | CYS358 |
| D | VAL359 |
| D | GLY360 |
| D | ALA364 |
| D | 8ZX502 |
| D | HOH605 |
| D | HOH606 |
| D | HOH615 |
| site_id | AF6 |
| Number of Residues | 11 |
| Details | binding site for residue 8ZX D 502 |
| Chain | Residue |
| D | ARG92 |
| D | SER95 |
| D | LEU98 |
| D | PHE182 |
| D | SER244 |
| D | SER247 |
| D | ALA248 |
| D | PHE298 |
| D | HEM501 |
| D | CL503 |
| D | HOH606 |
| site_id | AF7 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 503 |
| Chain | Residue |
| D | ARG92 |
| D | ARG243 |
| D | 8ZX502 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL D 504 |
| Chain | Residue |
| D | SER113 |
| D | LEU116 |
| D | SER117 |
| D | GLN361 |
| D | SO4506 |
| site_id | AF9 |
| Number of Residues | 3 |
| Details | binding site for residue GOL D 505 |
| Chain | Residue |
| D | HIS65 |
| D | ALA66 |
| D | ASN69 |
| site_id | AG1 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 D 506 |
| Chain | Residue |
| A | LYS114 |
| D | ARG109 |
| D | SER113 |
| D | GOL504 |
| D | HOH636 |
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 |
