6H1T
Structure of the BM3 heme domain in complex with clotrimazole
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 |
| 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 |
| 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 |
| 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 22 |
| Details | binding site for residue HEM A 501 |
| Chain | Residue |
| A | LYS69 |
| A | PHE393 |
| A | GLY394 |
| A | ARG398 |
| A | ALA399 |
| A | CYS400 |
| A | ILE401 |
| A | GLY402 |
| A | CL6502 |
| A | HOH635 |
| A | HOH659 |
| A | LEU86 |
| A | HOH696 |
| A | HOH729 |
| A | HOH739 |
| A | VAL87 |
| A | TRP96 |
| A | PHE261 |
| A | ALA264 |
| A | THR268 |
| A | PHE331 |
| A | PRO392 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | binding site for residue CL6 A 502 |
| Chain | Residue |
| A | LEU75 |
| A | VAL87 |
| A | THR260 |
| A | ALA264 |
| A | GLU267 |
| A | THR268 |
| A | ALA328 |
| A | LEU437 |
| A | HEM501 |
| A | MPD504 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue MPD A 503 |
| Chain | Residue |
| A | SER72 |
| A | ALA330 |
| A | LEU437 |
| A | EDO510 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue MPD A 504 |
| Chain | Residue |
| A | MET177 |
| A | VAL178 |
| A | LEU181 |
| A | ILE263 |
| A | GLU267 |
| A | CL6502 |
| A | HOH614 |
| A | HOH872 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue MPD A 505 |
| Chain | Residue |
| A | PHE81 |
| A | ASN213 |
| A | ARG255 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue MPD A 506 |
| Chain | Residue |
| A | ARG79 |
| A | GLU252 |
| A | TYR256 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 507 |
| Chain | Residue |
| A | ASP199 |
| A | GLU200 |
| A | HOH622 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue EDO A 509 |
| Chain | Residue |
| A | TRP130 |
| A | GLU131 |
| A | LEU133 |
| A | ALA448 |
| A | LYS449 |
| A | SER450 |
| A | HOH748 |
| site_id | AC9 |
| Number of Residues | 1 |
| Details | binding site for residue EDO A 510 |
| Chain | Residue |
| A | MPD503 |
| site_id | AD1 |
| Number of Residues | 23 |
| Details | binding site for residue HEM B 501 |
| Chain | Residue |
| B | LYS69 |
| B | LEU86 |
| B | VAL87 |
| B | TRP96 |
| B | PHE261 |
| B | ALA264 |
| B | THR268 |
| B | THR269 |
| B | PHE331 |
| B | PRO392 |
| B | PHE393 |
| B | GLY394 |
| B | ARG398 |
| B | ALA399 |
| B | CYS400 |
| B | ILE401 |
| B | GLY402 |
| B | CL6502 |
| B | HOH627 |
| B | HOH676 |
| B | HOH687 |
| B | HOH703 |
| B | HOH723 |
| site_id | AD2 |
| Number of Residues | 9 |
| Details | binding site for residue CL6 B 502 |
| Chain | Residue |
| B | VAL87 |
| B | THR260 |
| B | ALA264 |
| B | GLU267 |
| B | THR268 |
| B | ALA328 |
| B | LEU437 |
| B | HEM501 |
| B | MPD503 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue MPD B 503 |
| Chain | Residue |
| B | SER72 |
| B | ALA330 |
| B | LEU437 |
| B | CL6502 |
| site_id | AD4 |
| Number of Residues | 8 |
| Details | binding site for residue MPO B 504 |
| Chain | Residue |
| B | ARG378 |
| B | ALA384 |
| B | ILE385 |
| B | PRO386 |
| B | HOH636 |
| B | HOH740 |
| B | TRP367 |
| B | ARG375 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 505 |
| Chain | Residue |
| B | TRP130 |
| B | LEU133 |
| B | ALA448 |
| B | LYS449 |
| B | SER450 |
| B | HOH685 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 506 |
| Chain | Residue |
| B | LYS94 |
| B | LYS97 |
| B | LYS98 |
| B | ASN101 |
| B | ASP242 |
| B | GLU244 |
| site_id | AD7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO B 508 |
| Chain | Residue |
| B | ASN213 |
| B | ARG255 |
| site_id | AD8 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 509 |
| Chain | Residue |
| B | ARG79 |
| site_id | AD9 |
| Number of Residues | 2 |
| Details | binding site for residue PGE B 510 |
| Chain | Residue |
| B | TRP90 |
| B | HIS92 |
| site_id | AE1 |
| Number of Residues | 5 |
| Details | binding site for residue MPD B 511 |
| Chain | Residue |
| B | VAL178 |
| B | LEU181 |
| B | ILE263 |
| B | GLU267 |
| B | HOH803 |
| site_id | AE2 |
| Number of Residues | 23 |
| Details | binding site for residue HEM C 501 |
| Chain | Residue |
| C | LYS69 |
| C | LEU86 |
| C | VAL87 |
| C | TRP96 |
| C | PHE261 |
| C | ALA264 |
| C | THR268 |
| C | THR269 |
| C | PHE331 |
| C | PRO392 |
| C | PHE393 |
| C | GLY394 |
| C | ARG398 |
| C | ALA399 |
| C | CYS400 |
| C | ILE401 |
| C | GLY402 |
| C | CL6502 |
| C | HOH614 |
| C | HOH623 |
| C | HOH674 |
| C | HOH675 |
| C | HOH712 |
| site_id | AE3 |
| Number of Residues | 8 |
| Details | binding site for residue CL6 C 502 |
| Chain | Residue |
| C | VAL87 |
| C | ALA264 |
| C | GLU267 |
| C | THR268 |
| C | ALA328 |
| C | LEU437 |
| C | HEM501 |
| C | MPD503 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue MPD C 503 |
| Chain | Residue |
| C | SER72 |
| C | ALA330 |
| C | CL6502 |
| C | EDO505 |
| site_id | AE5 |
| Number of Residues | 4 |
| Details | binding site for residue MPD C 504 |
| Chain | Residue |
| C | ASN213 |
| C | VAL216 |
| C | ARG255 |
| C | TYR256 |
| site_id | AE6 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 505 |
| Chain | Residue |
| C | MPD503 |
| site_id | AE7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO C 506 |
| Chain | Residue |
| C | LEU181 |
| C | GLU267 |
| site_id | AE8 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 507 |
| Chain | Residue |
| C | ARG79 |
| site_id | AE9 |
| Number of Residues | 2 |
| Details | binding site for residue PGE C 508 |
| Chain | Residue |
| C | TRP90 |
| C | HIS92 |
| site_id | AF1 |
| Number of Residues | 23 |
| Details | binding site for residue HEM D 501 |
| Chain | Residue |
| D | LYS69 |
| D | LEU86 |
| D | VAL87 |
| D | TRP96 |
| D | PHE261 |
| D | ALA264 |
| D | THR268 |
| D | THR269 |
| D | PHE331 |
| D | PRO392 |
| D | PHE393 |
| D | GLY394 |
| D | ARG398 |
| D | ALA399 |
| D | CYS400 |
| D | ILE401 |
| D | GLY402 |
| D | CL6502 |
| D | HOH611 |
| D | HOH647 |
| D | HOH662 |
| D | HOH672 |
| D | HOH698 |
| site_id | AF2 |
| Number of Residues | 9 |
| Details | binding site for residue CL6 D 502 |
| Chain | Residue |
| D | LEU75 |
| D | VAL87 |
| D | THR260 |
| D | ALA264 |
| D | GLU267 |
| D | THR268 |
| D | ALA328 |
| D | LEU437 |
| D | HEM501 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue MPD D 503 |
| Chain | Residue |
| D | SER72 |
| D | ALA74 |
| D | LEU75 |
| D | ALA330 |
| D | LEU437 |
| site_id | AF4 |
| Number of Residues | 4 |
| Details | binding site for residue MPD D 504 |
| Chain | Residue |
| D | PHE81 |
| D | ASN213 |
| D | ARG255 |
| D | TYR256 |
| site_id | AF5 |
| Number of Residues | 7 |
| Details | binding site for residue MPO D 505 |
| Chain | Residue |
| D | TRP367 |
| D | ARG375 |
| D | ARG378 |
| D | ALA384 |
| D | ILE385 |
| D | PRO386 |
| D | HOH660 |
| site_id | AF6 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 506 |
| Chain | Residue |
| C | ASP121 |
| D | ARG132 |
| site_id | AF7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 507 |
| Chain | Residue |
| D | MET177 |
| D | LEU181 |
| D | ILE263 |
| D | GLU267 |
| site_id | AF8 |
| Number of Residues | 1 |
| Details | binding site for residue EDO D 508 |
| Chain | Residue |
| D | TYR256 |
| site_id | AF9 |
| Number of Residues | 1 |
| Details | binding site for residue PEG D 509 |
| Chain | Residue |
| D | HIS92 |
Functional Information from PROSITE/UniProt
| site_id | PS00086 |
| Number of Residues | 10 |
| Details | CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FGnGQRACIG |
| Chain | Residue | Details |
| A | PHE393-GLY402 |
