6U0P
Crystal structure of PieE, the flavin-dependent monooxygenase involved in the biosynthesis of piericidin A1
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004497 | molecular_function | 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 | 0071949 | molecular_function | FAD binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004497 | molecular_function | 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 | 0071949 | molecular_function | FAD binding |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004497 | molecular_function | 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 | 0071949 | molecular_function | FAD binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004497 | molecular_function | 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 | 0071949 | molecular_function | FAD binding |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0004497 | molecular_function | monooxygenase activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 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 |
| E | 0071949 | molecular_function | FAD binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0004497 | molecular_function | monooxygenase activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 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 |
| F | 0071949 | molecular_function | FAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 29 |
| Details | binding site for residue FAD A 601 |
| Chain | Residue |
| A | VAL18 |
| A | ARG52 |
| A | ALA53 |
| A | GLN126 |
| A | PHE151 |
| A | ALA184 |
| A | ASP185 |
| A | GLY186 |
| A | TRP296 |
| A | GLY315 |
| A | ASP316 |
| A | GLY19 |
| A | PRO323 |
| A | HOH722 |
| A | HOH741 |
| A | HOH750 |
| A | HOH756 |
| A | HOH793 |
| A | HOH797 |
| A | HOH810 |
| A | HOH858 |
| A | HOH928 |
| A | GLY21 |
| A | PRO22 |
| A | ALA23 |
| A | VAL41 |
| A | ASN42 |
| A | ARG43 |
| A | HIS44 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue PGE A 602 |
| Chain | Residue |
| A | HIS38 |
| A | GLY143 |
| A | GLN144 |
| A | ARG146 |
| F | LEU527 |
| F | HOH711 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue PGE A 603 |
| Chain | Residue |
| A | PRO238 |
| A | ALA239 |
| A | GLY241 |
| A | LEU381 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue 1PE A 604 |
| Chain | Residue |
| A | GLY61 |
| A | PHE64 |
| A | VAL73 |
| A | PRO118 |
| A | SER119 |
| A | GLY120 |
| A | HOH936 |
| A | HOH1010 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 605 |
| Chain | Residue |
| A | GLY68 |
| A | ALA70 |
| A | HOH973 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | binding site for residue CL A 606 |
| Chain | Residue |
| A | HIS44 |
| A | HIS45 |
| A | HOH933 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 607 |
| Chain | Residue |
| A | HIS54 |
| A | PRO323 |
| A | THR324 |
| A | HOH795 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 608 |
| Chain | Residue |
| A | ASP457 |
| A | GLU458 |
| A | ARG459 |
| site_id | AC9 |
| Number of Residues | 29 |
| Details | binding site for residue FAD B 601 |
| Chain | Residue |
| B | GLY19 |
| B | GLY21 |
| B | PRO22 |
| B | ALA23 |
| B | ASN42 |
| B | ARG43 |
| B | HIS44 |
| B | ARG52 |
| B | ALA53 |
| B | GLN126 |
| B | HIS149 |
| B | GLU150 |
| B | PHE151 |
| B | ALA184 |
| B | ASP185 |
| B | GLY186 |
| B | TRP296 |
| B | GLY315 |
| B | ASP316 |
| B | PRO323 |
| B | GOL607 |
| B | HOH714 |
| B | HOH738 |
| B | HOH784 |
| B | HOH803 |
| B | HOH826 |
| B | HOH865 |
| B | HOH877 |
| B | HOH898 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue PGE B 602 |
| Chain | Residue |
| B | HIS38 |
| B | VAL142 |
| B | GLY143 |
| B | GLN144 |
| B | HOH708 |
| B | HOH1005 |
| C | GLY532 |
| C | GLY534 |
| site_id | AD2 |
| Number of Residues | 8 |
| Details | binding site for residue PGE B 603 |
| Chain | Residue |
| B | GLY231 |
| B | PRO238 |
| B | GLY241 |
| B | LEU381 |
| B | PRO385 |
| B | HOH913 |
| B | MET89 |
| B | MET230 |
| site_id | AD3 |
| Number of Residues | 7 |
| Details | binding site for residue 1PE B 604 |
| Chain | Residue |
| B | GLY61 |
| B | PRO118 |
| B | SER119 |
| B | GLY120 |
| B | CYS122 |
| B | HOH932 |
| B | HOH1032 |
| site_id | AD4 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 605 |
| Chain | Residue |
| B | GLY68 |
| B | ILE69 |
| B | ALA70 |
| B | ASP71 |
| site_id | AD5 |
| Number of Residues | 7 |
| Details | binding site for residue GOL B 606 |
| Chain | Residue |
| A | TYR539 |
| B | ALA84 |
| B | ASN85 |
| B | ASN105 |
| B | GLY106 |
| B | PRO107 |
| B | HOH902 |
| site_id | AD6 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 607 |
| Chain | Residue |
| B | HIS54 |
| B | VAL245 |
| B | PRO323 |
| B | THR324 |
| B | FAD601 |
| B | HOH925 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 608 |
| Chain | Residue |
| A | PRO107 |
| A | ASP108 |
| B | HOH729 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 609 |
| Chain | Residue |
| B | ARG484 |
| B | HOH922 |
| B | HOH945 |
| C | PHE147 |
| site_id | AD9 |
| Number of Residues | 31 |
| Details | binding site for residue FAD C 601 |
| Chain | Residue |
| C | GLY19 |
| C | GLY21 |
| C | PRO22 |
| C | ALA23 |
| C | VAL41 |
| C | ASN42 |
| C | ARG43 |
| C | HIS44 |
| C | ARG52 |
| C | ALA53 |
| C | GLN126 |
| C | HIS149 |
| C | GLU150 |
| C | PHE151 |
| C | ALA184 |
| C | ASP185 |
| C | GLY186 |
| C | TRP296 |
| C | GLY315 |
| C | ASP316 |
| C | PRO323 |
| C | GLY328 |
| C | HOH703 |
| C | HOH731 |
| C | HOH748 |
| C | HOH755 |
| C | HOH781 |
| C | HOH844 |
| C | HOH867 |
| C | HOH871 |
| C | HOH927 |
| site_id | AE1 |
| Number of Residues | 8 |
| Details | binding site for residue PGE C 602 |
| Chain | Residue |
| B | LEU527 |
| B | GLY534 |
| B | HOH721 |
| C | HIS38 |
| C | VAL142 |
| C | GLY143 |
| C | GLN144 |
| C | HOH702 |
| site_id | AE2 |
| Number of Residues | 9 |
| Details | binding site for residue PGE C 603 |
| Chain | Residue |
| C | PHE88 |
| C | MET89 |
| C | MET230 |
| C | GLY231 |
| C | ALA232 |
| C | PRO238 |
| C | LEU381 |
| C | PRO385 |
| C | HOH835 |
| site_id | AE3 |
| Number of Residues | 10 |
| Details | binding site for residue 1PE C 604 |
| Chain | Residue |
| C | GLY61 |
| C | VAL73 |
| C | ARG114 |
| C | PRO118 |
| C | SER119 |
| C | GLY120 |
| C | HOH924 |
| C | HOH944 |
| C | HOH967 |
| C | HOH1085 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue CL C 605 |
| Chain | Residue |
| C | GLY68 |
| C | ILE69 |
| C | ALA70 |
| C | ASP71 |
| C | HOH1090 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 606 |
| Chain | Residue |
| C | HIS44 |
| C | HIS45 |
| C | ARG168 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 607 |
| Chain | Residue |
| C | HIS54 |
| C | PRO323 |
| C | HOH889 |
| C | HOH1025 |
| site_id | AE7 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 608 |
| Chain | Residue |
| C | PRO107 |
| C | HOH979 |
| D | GLY111 |
| D | GLU112 |
| site_id | AE8 |
| Number of Residues | 27 |
| Details | binding site for residue FAD D 601 |
| Chain | Residue |
| D | GLY19 |
| D | GLY21 |
| D | PRO22 |
| D | ALA23 |
| D | ASN42 |
| D | ARG43 |
| D | HIS44 |
| D | ARG52 |
| D | ALA53 |
| D | GLN126 |
| D | HIS149 |
| D | PHE151 |
| D | ALA184 |
| D | ASP185 |
| D | GLY186 |
| D | TRP296 |
| D | GLY315 |
| D | ASP316 |
| D | PRO323 |
| D | HOH722 |
| D | HOH725 |
| D | HOH733 |
| D | HOH746 |
| D | HOH792 |
| D | HOH869 |
| D | HOH891 |
| D | HOH949 |
| site_id | AE9 |
| Number of Residues | 7 |
| Details | binding site for residue PGE D 602 |
| Chain | Residue |
| D | VAL142 |
| D | GLY143 |
| D | GLN144 |
| D | HOH1024 |
| E | LEU527 |
| E | HOH798 |
| E | HOH952 |
| site_id | AF1 |
| Number of Residues | 5 |
| Details | binding site for residue PGE D 603 |
| Chain | Residue |
| D | GLY231 |
| D | PRO238 |
| D | GLY241 |
| D | LEU381 |
| D | HOH852 |
| site_id | AF2 |
| Number of Residues | 10 |
| Details | binding site for residue 1PE D 604 |
| Chain | Residue |
| D | GLY61 |
| D | VAL73 |
| D | ARG114 |
| D | PRO118 |
| D | SER119 |
| D | GLY120 |
| D | CYS122 |
| D | HOH842 |
| D | HOH948 |
| D | HOH1054 |
| site_id | AF3 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 605 |
| Chain | Residue |
| D | GLY68 |
| D | ALA70 |
| D | ASP71 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 606 |
| Chain | Residue |
| D | HIS44 |
| D | HIS45 |
| D | ARG168 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL D 607 |
| Chain | Residue |
| D | PRO323 |
| D | THR324 |
| D | HOH881 |
| site_id | AF6 |
| Number of Residues | 4 |
| Details | binding site for residue GOL D 608 |
| Chain | Residue |
| D | PHE147 |
| D | HOH1004 |
| E | ARG484 |
| F | ARG219 |
| site_id | AF7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL D 609 |
| Chain | Residue |
| C | TYR539 |
| D | ALA84 |
| D | ASN85 |
| D | ASN105 |
| D | GLY106 |
| D | HOH960 |
| site_id | AF8 |
| Number of Residues | 5 |
| Details | binding site for residue GOL D 610 |
| Chain | Residue |
| C | ARG219 |
| C | HOH744 |
| D | ARG484 |
| D | HOH752 |
| E | HIS45 |
| site_id | AF9 |
| Number of Residues | 28 |
| Details | binding site for residue FAD E 601 |
| Chain | Residue |
| E | VAL18 |
| E | GLY19 |
| E | GLY21 |
| E | PRO22 |
| E | ALA23 |
| E | ASN42 |
| E | ARG43 |
| E | HIS44 |
| E | ARG52 |
| E | ALA53 |
| E | GLN126 |
| E | PHE151 |
| E | ALA184 |
| E | ASP185 |
| E | GLY186 |
| E | TRP296 |
| E | GLY315 |
| E | ASP316 |
| E | PRO323 |
| E | GOL607 |
| E | HOH706 |
| E | HOH767 |
| E | HOH778 |
| E | HOH785 |
| E | HOH794 |
| E | HOH856 |
| E | HOH865 |
| E | HOH880 |
| site_id | AG1 |
| Number of Residues | 7 |
| Details | binding site for residue PGE E 602 |
| Chain | Residue |
| D | ARG510 |
| D | GLY532 |
| D | HOH1011 |
| E | HIS38 |
| E | VAL142 |
| E | GLY143 |
| E | GLN144 |
| site_id | AG2 |
| Number of Residues | 14 |
| Details | binding site for residue PGE E 603 |
| Chain | Residue |
| E | PHE88 |
| E | MET89 |
| E | MET230 |
| E | GLY231 |
| E | ALA232 |
| E | PRO238 |
| E | ALA239 |
| E | GLY241 |
| E | ILE382 |
| E | ILE384 |
| E | PRO385 |
| E | HOH760 |
| E | HOH823 |
| E | HOH1015 |
| site_id | AG3 |
| Number of Residues | 6 |
| Details | binding site for residue 1PE E 604 |
| Chain | Residue |
| E | GLY61 |
| E | VAL73 |
| E | PRO118 |
| E | SER119 |
| E | GLY120 |
| E | HOH1093 |
| site_id | AG4 |
| Number of Residues | 3 |
| Details | binding site for residue CL E 605 |
| Chain | Residue |
| E | GLY68 |
| E | ALA70 |
| E | HOH947 |
| site_id | AG5 |
| Number of Residues | 3 |
| Details | binding site for residue CL E 606 |
| Chain | Residue |
| E | HIS44 |
| E | HIS45 |
| E | ARG168 |
| site_id | AG6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL E 607 |
| Chain | Residue |
| E | HIS54 |
| E | PRO323 |
| E | THR324 |
| E | FAD601 |
| E | HOH970 |
| site_id | AG7 |
| Number of Residues | 9 |
| Details | binding site for residue GOL E 608 |
| Chain | Residue |
| E | ALA84 |
| E | ASN85 |
| E | ASN105 |
| E | GLY106 |
| E | PRO107 |
| E | HOH702 |
| E | HOH815 |
| F | TYR539 |
| F | HOH964 |
| site_id | AG8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL E 609 |
| Chain | Residue |
| E | PRO107 |
| E | ASP108 |
| E | HOH713 |
| F | GLY111 |
| F | GLU112 |
| F | ALA115 |
| site_id | AG9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL F 601 |
| Chain | Residue |
| E | GLY111 |
| E | ALA115 |
| F | PRO107 |
| F | ASP108 |
| F | HOH762 |
| site_id | AH1 |
| Number of Residues | 28 |
| Details | binding site for residue FAD F 602 |
| Chain | Residue |
| F | GLY19 |
| F | GLY21 |
| F | PRO22 |
| F | ALA23 |
| F | VAL41 |
| F | ASN42 |
| F | ARG43 |
| F | HIS44 |
| F | ARG52 |
| F | ALA53 |
| F | GLN126 |
| F | HIS149 |
| F | PHE151 |
| F | ALA184 |
| F | ASP185 |
| F | GLY186 |
| F | TRP296 |
| F | GLY315 |
| F | ASP316 |
| F | PRO323 |
| F | GLY328 |
| F | HOH704 |
| F | HOH726 |
| F | HOH767 |
| F | HOH780 |
| F | HOH781 |
| F | HOH800 |
| F | HOH934 |
| site_id | AH2 |
| Number of Residues | 6 |
| Details | binding site for residue PGE F 603 |
| Chain | Residue |
| A | GLY534 |
| F | HIS38 |
| F | VAL142 |
| F | GLY143 |
| F | GLN144 |
| F | HOH722 |
| site_id | AH3 |
| Number of Residues | 8 |
| Details | binding site for residue PGE F 604 |
| Chain | Residue |
| F | PHE88 |
| F | MET89 |
| F | MET230 |
| F | GLY231 |
| F | PRO238 |
| F | ALA239 |
| F | GLY241 |
| F | LEU381 |
| site_id | AH4 |
| Number of Residues | 7 |
| Details | binding site for residue 1PE F 605 |
| Chain | Residue |
| F | GLY61 |
| F | VAL73 |
| F | GLU74 |
| F | ARG114 |
| F | GLY120 |
| F | HOH887 |
| F | HOH991 |
| site_id | AH5 |
| Number of Residues | 3 |
| Details | binding site for residue CL F 606 |
| Chain | Residue |
| F | GLY68 |
| F | ALA70 |
| F | ASP71 |
| site_id | AH6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL F 607 |
| Chain | Residue |
| F | MET230 |
| F | PHE258 |
| F | PRO323 |
| F | THR324 |
| F | HOH935 |
