5NMX
Crystal Structure of the pyrrolizidine alkaloid N-oxygenase from Zonocerus variegatus in complex with FAD and NADP+
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 | 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 | 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 | 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 | 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 501 |
Chain | Residue |
A | GLY8 |
A | TYR56 |
A | SER58 |
A | VAL65 |
A | ASN66 |
A | MET72 |
A | HIS113 |
A | HIS114 |
A | VAL115 |
A | CYS148 |
A | THR149 |
A | GLY10 |
A | GLY150 |
A | THR152 |
A | TYR307 |
A | PHE311 |
A | NAP502 |
A | HOH617 |
A | HOH638 |
A | HOH645 |
A | HOH654 |
A | HOH657 |
A | PRO11 |
A | HOH661 |
A | HOH710 |
A | HOH717 |
A | HOH728 |
A | HOH761 |
A | HOH772 |
A | HOH779 |
A | HOH841 |
A | SER12 |
A | GLU31 |
A | ARG32 |
A | GLY38 |
A | THR39 |
A | TRP40 |
site_id | AC2 |
Number of Residues | 31 |
Details | binding site for residue NAP A 502 |
Chain | Residue |
A | TYR60 |
A | PHE64 |
A | ASN66 |
A | PRO158 |
A | VAL190 |
A | GLY191 |
A | GLY193 |
A | PRO194 |
A | SER195 |
A | SER213 |
A | LYS215 |
A | CYS258 |
A | THR259 |
A | GLY260 |
A | TYR307 |
A | ARG398 |
A | FAD501 |
A | HOH611 |
A | HOH620 |
A | HOH628 |
A | HOH633 |
A | HOH659 |
A | HOH678 |
A | HOH685 |
A | HOH689 |
A | HOH739 |
A | HOH788 |
A | HOH795 |
A | HOH821 |
A | HOH876 |
A | HOH893 |
site_id | AC3 |
Number of Residues | 38 |
Details | binding site for residue FAD B 501 |
Chain | Residue |
B | HOH771 |
B | HOH777 |
B | HOH782 |
B | HOH788 |
B | HOH789 |
B | HOH857 |
B | HOH866 |
B | GLY8 |
B | GLY10 |
B | PRO11 |
B | SER12 |
B | GLU31 |
B | ARG32 |
B | GLY38 |
B | THR39 |
B | TRP40 |
B | TYR56 |
B | SER58 |
B | VAL65 |
B | ASN66 |
B | MET72 |
B | HIS113 |
B | HIS114 |
B | VAL115 |
B | CYS148 |
B | THR149 |
B | GLY150 |
B | THR152 |
B | TYR307 |
B | PHE311 |
B | NAP502 |
B | HOH644 |
B | HOH647 |
B | HOH671 |
B | HOH674 |
B | HOH677 |
B | HOH680 |
B | HOH744 |
site_id | AC4 |
Number of Residues | 36 |
Details | binding site for residue NAP B 502 |
Chain | Residue |
B | TYR60 |
B | PHE64 |
B | ASN66 |
B | PRO158 |
B | VAL190 |
B | GLY191 |
B | GLY193 |
B | PRO194 |
B | SER195 |
B | ASP198 |
B | SER213 |
B | ARG214 |
B | LYS215 |
B | CYS258 |
B | THR259 |
B | GLY260 |
B | TYR261 |
B | ARG398 |
B | FAD501 |
B | HOH605 |
B | HOH607 |
B | HOH617 |
B | HOH619 |
B | HOH624 |
B | HOH625 |
B | HOH631 |
B | HOH654 |
B | HOH675 |
B | HOH682 |
B | HOH695 |
B | HOH711 |
B | HOH746 |
B | HOH773 |
B | HOH814 |
B | HOH867 |
B | HOH903 |
site_id | AC5 |
Number of Residues | 5 |
Details | binding site for residue MG B 503 |
Chain | Residue |
B | HOH718 |
B | HOH795 |
B | HOH980 |
B | HOH987 |
B | HOH988 |
site_id | AC6 |
Number of Residues | 37 |
Details | binding site for residue FAD C 501 |
Chain | Residue |
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 |
C | GLY150 |
C | TYR307 |
C | PHE311 |
C | NAP502 |
C | HOH682 |
C | HOH685 |
C | HOH692 |
C | HOH698 |
C | HOH704 |
C | HOH711 |
C | HOH758 |
C | HOH770 |
C | HOH776 |
C | HOH785 |
C | HOH797 |
C | HOH822 |
C | HOH829 |
C | HOH856 |
site_id | AC7 |
Number of Residues | 27 |
Details | binding site for residue NAP C 502 |
Chain | Residue |
C | TYR60 |
C | LEU63 |
C | PHE64 |
C | ASN66 |
C | PRO158 |
C | VAL190 |
C | GLY191 |
C | GLY193 |
C | PRO194 |
C | SER195 |
C | ASP198 |
C | SER213 |
C | LYS215 |
C | CYS258 |
C | THR259 |
C | ARG398 |
C | FAD501 |
C | HOH601 |
C | HOH615 |
C | HOH616 |
C | HOH620 |
C | HOH625 |
C | HOH637 |
C | HOH675 |
C | HOH690 |
C | HOH705 |
C | HOH819 |
site_id | AC8 |
Number of Residues | 6 |
Details | binding site for residue MG C 503 |
Chain | Residue |
A | HOH704 |
A | HOH832 |
A | HOH932 |
C | HOH624 |
C | HOH694 |
C | HOH702 |
site_id | AC9 |
Number of Residues | 37 |
Details | binding site for residue FAD D 501 |
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 | LEU67 |
D | MET72 |
D | HIS113 |
D | HIS114 |
D | VAL115 |
D | CYS148 |
D | THR149 |
D | GLY150 |
D | THR152 |
D | TYR307 |
D | NAP502 |
D | HOH640 |
D | HOH647 |
D | HOH651 |
D | HOH654 |
D | HOH674 |
D | HOH713 |
D | HOH715 |
D | HOH717 |
D | HOH728 |
D | HOH749 |
D | HOH756 |
D | HOH798 |
D | HOH822 |
site_id | AD1 |
Number of Residues | 29 |
Details | binding site for residue NAP D 502 |
Chain | Residue |
D | TYR60 |
D | LEU63 |
D | PHE64 |
D | ASN66 |
D | PRO158 |
D | VAL190 |
D | GLY191 |
D | GLY193 |
D | PRO194 |
D | SER195 |
D | SER213 |
D | LYS215 |
D | CYS258 |
D | THR259 |
D | GLY260 |
D | TYR261 |
D | HIS351 |
D | ARG398 |
D | FAD501 |
D | HOH610 |
D | HOH614 |
D | HOH637 |
D | HOH672 |
D | HOH690 |
D | HOH716 |
D | HOH719 |
D | HOH738 |
D | HOH781 |
D | HOH796 |
site_id | AD2 |
Number of Residues | 6 |
Details | binding site for residue MG D 503 |
Chain | Residue |
B | HOH691 |
B | HOH772 |
D | HOH611 |
D | HOH671 |
D | HOH815 |
D | HOH893 |