5NMW
Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004497 | molecular_function | monooxygenase activity |
| A | 0004499 | molecular_function | N,N-dimethylaniline monooxygenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0050661 | molecular_function | NADP binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004497 | molecular_function | monooxygenase activity |
| B | 0004499 | molecular_function | N,N-dimethylaniline monooxygenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0050661 | molecular_function | NADP binding |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004497 | molecular_function | monooxygenase activity |
| C | 0004499 | molecular_function | N,N-dimethylaniline monooxygenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| C | 0050661 | molecular_function | NADP binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004497 | molecular_function | monooxygenase activity |
| D | 0004499 | molecular_function | N,N-dimethylaniline monooxygenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016709 | molecular_function | oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, NAD(P)H as one donor, and incorporation of one atom of oxygen |
| D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| D | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 37 |
| Details | binding site for residue FAD A 500 |
| Chain | Residue |
| A | GLY8 |
| A | TYR56 |
| A | SER58 |
| A | LEU63 |
| A | VAL65 |
| A | ASN66 |
| A | MET72 |
| A | HIS113 |
| A | HIS114 |
| A | VAL115 |
| A | CYS148 |
| A | GLY10 |
| A | THR149 |
| A | TYR307 |
| A | PHE311 |
| A | HOH627 |
| A | HOH649 |
| A | HOH650 |
| A | HOH683 |
| A | HOH685 |
| A | HOH688 |
| A | HOH696 |
| A | PRO11 |
| A | HOH703 |
| A | HOH731 |
| A | HOH733 |
| A | HOH750 |
| A | HOH754 |
| A | HOH770 |
| A | HOH835 |
| A | HOH847 |
| A | SER12 |
| A | GLU31 |
| A | ARG32 |
| A | GLY38 |
| A | THR39 |
| A | TRP40 |
| site_id | AC2 |
| Number of Residues | 35 |
| Details | binding site for residue FAD B 501 |
| Chain | Residue |
| B | GLY8 |
| B | GLY10 |
| B | PRO11 |
| B | SER12 |
| B | GLU31 |
| B | ARG32 |
| B | GLY38 |
| B | THR39 |
| B | TRP40 |
| B | TYR56 |
| B | LEU63 |
| B | VAL65 |
| B | ASN66 |
| B | MET72 |
| B | HIS113 |
| B | HIS114 |
| B | VAL115 |
| B | CYS148 |
| B | THR149 |
| B | GLY150 |
| B | TYR307 |
| B | PHE311 |
| B | HOH634 |
| B | HOH656 |
| B | HOH658 |
| B | HOH667 |
| B | HOH679 |
| B | HOH694 |
| B | HOH735 |
| B | HOH751 |
| B | HOH752 |
| B | HOH773 |
| B | HOH799 |
| B | HOH805 |
| B | HOH843 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | binding site for residue MG B 502 |
| Chain | Residue |
| A | HOH724 |
| A | HOH745 |
| B | GLU368 |
| B | ALA372 |
| B | HOH604 |
| B | HOH629 |
| B | HOH711 |
| B | HOH875 |
| site_id | AC4 |
| Number of Residues | 36 |
| Details | binding site for residue FAD C 501 |
| Chain | Residue |
| C | TYR307 |
| C | PHE311 |
| C | HOH614 |
| C | HOH629 |
| C | HOH644 |
| C | HOH645 |
| C | HOH656 |
| C | HOH659 |
| C | HOH663 |
| C | HOH673 |
| C | HOH692 |
| C | HOH705 |
| C | HOH707 |
| C | HOH716 |
| C | HOH776 |
| C | HOH779 |
| C | HOH797 |
| C | GLY8 |
| C | GLY10 |
| C | PRO11 |
| C | SER12 |
| C | GLU31 |
| C | ARG32 |
| C | GLY38 |
| C | THR39 |
| C | TRP40 |
| C | TYR56 |
| C | LEU63 |
| C | VAL65 |
| C | ASN66 |
| C | MET72 |
| C | HIS113 |
| C | HIS114 |
| C | VAL115 |
| C | CYS148 |
| C | THR149 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue MG C 502 |
| Chain | Residue |
| C | GLU368 |
| C | HOH607 |
| C | HOH655 |
| C | HOH683 |
| C | HOH724 |
| D | HOH632 |
| D | HOH728 |
| site_id | AC6 |
| Number of Residues | 34 |
| Details | binding site for residue FAD D 500 |
| Chain | Residue |
| D | GLY8 |
| D | GLY10 |
| D | PRO11 |
| D | SER12 |
| D | GLU31 |
| D | ARG32 |
| D | GLY38 |
| D | THR39 |
| D | TRP40 |
| D | TYR56 |
| D | LEU63 |
| D | VAL65 |
| D | ASN66 |
| D | MET72 |
| D | HIS113 |
| D | HIS114 |
| D | VAL115 |
| D | CYS148 |
| D | THR149 |
| D | GLY150 |
| D | TYR307 |
| D | PHE311 |
| D | HOH642 |
| D | HOH646 |
| D | HOH664 |
| D | HOH666 |
| D | HOH672 |
| D | HOH675 |
| D | HOH676 |
| D | HOH692 |
| D | HOH716 |
| D | HOH730 |
| D | HOH738 |
| D | HOH789 |
