6U0S
Crystal structure of the flavin-dependent monooxygenase PieE in complex with FAD and substrate
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 | 32 |
| Details | binding site for residue FAD A 601 |
| Chain | Residue |
| A | GLY19 |
| A | HIS54 |
| A | LEU55 |
| A | GLN126 |
| A | HIS149 |
| A | GLU150 |
| A | PHE151 |
| A | ALA184 |
| A | ASP185 |
| A | GLY186 |
| A | ARG190 |
| A | GLY21 |
| A | GLY315 |
| A | ASP316 |
| A | PRO323 |
| A | GLY326 |
| A | GLY328 |
| A | LEU329 |
| A | ASN330 |
| A | CL602 |
| A | PKS603 |
| A | HOH703 |
| A | PRO22 |
| A | HOH712 |
| A | HOH742 |
| A | HOH825 |
| A | ALA23 |
| A | ASN42 |
| A | ARG43 |
| A | HIS44 |
| A | ARG52 |
| A | ALA53 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CL A 602 |
| Chain | Residue |
| A | ASN321 |
| A | LEU327 |
| A | GLY328 |
| A | FAD601 |
| A | HOH711 |
| A | HOH720 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | binding site for residue PKS A 603 |
| Chain | Residue |
| A | HIS54 |
| A | LEU228 |
| A | MET230 |
| A | PRO238 |
| A | ALA239 |
| A | LEU256 |
| A | PHE258 |
| A | PRO323 |
| A | THR324 |
| A | ASN325 |
| A | GLY326 |
| A | MET378 |
| A | FAD601 |
| A | HOH745 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue PGE A 604 |
| Chain | Residue |
| A | HIS38 |
| A | VAL142 |
| A | GLY143 |
| A | GLN144 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue 1PE A 605 |
| Chain | Residue |
| A | GLY61 |
| A | VAL73 |
| A | ARG114 |
| A | PRO118 |
| A | GLY120 |
| A | CYS122 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue CL A 606 |
| Chain | Residue |
| A | ALA70 |
| A | ASP71 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue GOL A 607 |
| Chain | Residue |
| A | PRO107 |
| A | ASP108 |
| B | GLY111 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 608 |
| Chain | Residue |
| B | PRO107 |
| B | ASP108 |
| 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 | VAL41 |
| B | ASN42 |
| B | ARG43 |
| B | HIS44 |
| B | ARG52 |
| B | ALA53 |
| B | HIS54 |
| B | LEU55 |
| B | GLN126 |
| B | HIS149 |
| B | PHE151 |
| B | ALA184 |
| B | ASP185 |
| B | GLY186 |
| B | GLY315 |
| B | ASP316 |
| B | PRO323 |
| B | GLY326 |
| B | GLY328 |
| B | LEU329 |
| B | ASN330 |
| B | CL602 |
| B | PKS603 |
| B | HOH708 |
| B | HOH721 |
| site_id | AD1 |
| Number of Residues | 5 |
| Details | binding site for residue CL B 602 |
| Chain | Residue |
| B | PRO323 |
| B | GLY328 |
| B | FAD601 |
| B | HOH709 |
| B | ASN321 |
| site_id | AD2 |
| Number of Residues | 16 |
| Details | binding site for residue PKS B 603 |
| Chain | Residue |
| B | HIS54 |
| B | LEU55 |
| B | TYR103 |
| B | LEU228 |
| B | MET230 |
| B | ALA239 |
| B | GLY241 |
| B | PHE258 |
| B | PRO323 |
| B | THR324 |
| B | ASN325 |
| B | GLY326 |
| B | MET378 |
| B | FAD601 |
| B | HOH719 |
| B | HOH731 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE B 604 |
| Chain | Residue |
| B | GLY61 |
| B | SER119 |
| B | GLY120 |
| B | CYS122 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue CL B 605 |
| Chain | Residue |
| B | GLY68 |
| B | ALA70 |
| B | ASP71 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue PGE C 701 |
| Chain | Residue |
| B | VAL142 |
| B | GLY143 |
| B | GLN144 |
| C | LEU527 |
| site_id | AD6 |
| Number of Residues | 24 |
| Details | binding site for residue FAD C 702 |
| Chain | Residue |
| C | GLY19 |
| C | GLY21 |
| C | PRO22 |
| C | ALA23 |
| C | VAL41 |
| C | ASN42 |
| C | ARG43 |
| C | HIS44 |
| C | ARG52 |
| C | GLN126 |
| C | HIS149 |
| C | PHE151 |
| C | ALA184 |
| C | ASP185 |
| C | GLY186 |
| C | TRP296 |
| C | GLY315 |
| C | ASP316 |
| C | PRO323 |
| C | GLY328 |
| C | LEU329 |
| C | PKS703 |
| C | HOH870 |
| C | HOH894 |
| site_id | AD7 |
| Number of Residues | 17 |
| Details | binding site for residue PKS C 703 |
| Chain | Residue |
| C | HIS54 |
| C | LEU55 |
| C | TYR103 |
| C | LEU228 |
| C | MET230 |
| C | PRO238 |
| C | ALA239 |
| C | VAL243 |
| C | PHE258 |
| C | PRO323 |
| C | THR324 |
| C | GLY326 |
| C | MET378 |
| C | FAD702 |
| C | HOH827 |
| C | HOH875 |
| C | HOH891 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue PGE C 704 |
| Chain | Residue |
| B | LEU527 |
| B | GLY532 |
| C | VAL142 |
| C | GLN144 |
| site_id | AD9 |
| Number of Residues | 7 |
| Details | binding site for residue 1PE C 705 |
| Chain | Residue |
| C | GLY61 |
| C | ALA70 |
| C | VAL73 |
| C | PRO118 |
| C | GLY120 |
| C | CYS122 |
| C | HOH973 |
| site_id | AE1 |
| Number of Residues | 3 |
| Details | binding site for residue CL C 706 |
| Chain | Residue |
| C | GLY68 |
| C | ALA70 |
| C | ASP71 |
| site_id | AE2 |
| Number of Residues | 1 |
| Details | binding site for residue GOL D 601 |
| Chain | Residue |
| C | PRO107 |
| site_id | AE3 |
| Number of Residues | 26 |
| Details | binding site for residue FAD D 602 |
| Chain | Residue |
| D | GLY21 |
| D | PRO22 |
| D | ALA23 |
| D | ASN42 |
| D | ARG43 |
| D | HIS44 |
| D | ARG52 |
| D | ALA53 |
| D | HIS54 |
| D | LEU55 |
| D | GLN126 |
| D | HIS149 |
| D | GLU150 |
| D | PHE151 |
| D | ALA184 |
| D | ASP185 |
| D | GLY186 |
| D | GLY315 |
| D | ASP316 |
| D | PRO323 |
| D | GLY326 |
| D | GLY328 |
| D | LEU329 |
| D | ASN330 |
| D | CL603 |
| D | PKS604 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue CL D 603 |
| Chain | Residue |
| D | ASN321 |
| D | PRO323 |
| D | GLY328 |
| D | FAD602 |
| D | HOH710 |
| site_id | AE5 |
| Number of Residues | 13 |
| Details | binding site for residue PKS D 604 |
| Chain | Residue |
| D | HIS54 |
| D | LEU55 |
| D | LEU228 |
| D | MET230 |
| D | ALA239 |
| D | PHE258 |
| D | PRO323 |
| D | THR324 |
| D | GLY326 |
| D | MET378 |
| D | FAD602 |
| D | HOH714 |
| D | HOH727 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue 1PE D 605 |
| Chain | Residue |
| D | ARG114 |
| D | PRO118 |
| D | GLY120 |
| D | HOH773 |
| site_id | AE7 |
| Number of Residues | 3 |
| Details | binding site for residue CL D 606 |
| Chain | Residue |
| D | GLY68 |
| D | ALA70 |
| D | ASP71 |
| site_id | AE8 |
| Number of Residues | 2 |
| Details | binding site for residue GOL D 607 |
| Chain | Residue |
| C | GLY111 |
| D | PRO107 |
| site_id | AE9 |
| Number of Residues | 30 |
| 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 | HIS54 |
| E | LEU55 |
| E | GLN126 |
| E | PHE151 |
| E | ALA184 |
| E | ASP185 |
| E | GLY186 |
| E | ARG190 |
| E | TRP296 |
| E | GLY315 |
| E | ASP316 |
| E | PRO323 |
| E | GLY326 |
| E | LEU327 |
| E | GLY328 |
| E | LEU329 |
| E | ASN330 |
| E | CL602 |
| E | PKS603 |
| E | HOH710 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue CL E 602 |
| Chain | Residue |
| E | ASN321 |
| E | LEU327 |
| E | GLY328 |
| E | FAD601 |
| site_id | AF2 |
| Number of Residues | 15 |
| Details | binding site for residue PKS E 603 |
| Chain | Residue |
| E | HIS54 |
| E | LEU228 |
| E | MET230 |
| E | PRO238 |
| E | ALA239 |
| E | VAL243 |
| E | PHE258 |
| E | PRO323 |
| E | THR324 |
| E | ASN325 |
| E | GLY326 |
| E | MET378 |
| E | FAD601 |
| E | HOH718 |
| E | HOH725 |
| site_id | AF3 |
| Number of Residues | 4 |
| Details | binding site for residue PGE E 604 |
| Chain | Residue |
| D | ARG510 |
| E | VAL142 |
| E | GLY143 |
| E | GLN144 |
| site_id | AF4 |
| Number of Residues | 3 |
| Details | binding site for residue 1PE E 605 |
| Chain | Residue |
| E | ARG114 |
| E | PRO118 |
| E | GLY120 |
| site_id | AF5 |
| Number of Residues | 3 |
| Details | binding site for residue CL E 606 |
| Chain | Residue |
| E | GLY68 |
| E | ALA70 |
| E | ASP71 |
| site_id | AF6 |
| Number of Residues | 2 |
| Details | binding site for residue GOL E 607 |
| Chain | Residue |
| E | PRO107 |
| E | ASP108 |
| site_id | AF7 |
| Number of Residues | 2 |
| Details | binding site for residue GOL E 608 |
| Chain | Residue |
| F | PRO107 |
| F | ASP108 |
| site_id | AF8 |
| Number of Residues | 25 |
| Details | binding site for residue FAD F 601 |
| Chain | Residue |
| F | GLY19 |
| F | GLY20 |
| F | GLY21 |
| F | PRO22 |
| F | ALA23 |
| F | VAL41 |
| F | ASN42 |
| F | ARG43 |
| F | HIS44 |
| F | ARG52 |
| F | ALA53 |
| F | HIS54 |
| F | LEU55 |
| F | GLN126 |
| F | ASP185 |
| F | GLY315 |
| F | ASP316 |
| F | PRO323 |
| F | GLY326 |
| F | GLY328 |
| F | LEU329 |
| F | ASN330 |
| F | CL602 |
| F | PKS603 |
| F | HOH703 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue CL F 602 |
| Chain | Residue |
| F | ASN321 |
| F | PRO323 |
| F | GLY326 |
| F | LEU327 |
| F | GLY328 |
| F | FAD601 |
| site_id | AG1 |
| Number of Residues | 16 |
| Details | binding site for residue PKS F 603 |
| Chain | Residue |
| F | HIS54 |
| F | LEU55 |
| F | TYR103 |
| F | LEU228 |
| F | MET230 |
| F | ALA239 |
| F | PHE258 |
| F | PRO323 |
| F | THR324 |
| F | ASN325 |
| F | GLY326 |
| F | MET378 |
| F | LEU381 |
| F | FAD601 |
| F | HOH715 |
| F | HOH720 |
| site_id | AG2 |
| Number of Residues | 5 |
| Details | binding site for residue 1PE F 604 |
| Chain | Residue |
| F | ARG114 |
| F | PRO118 |
| F | SER119 |
| F | GLY120 |
| F | CYS122 |
| site_id | AG3 |
| Number of Residues | 4 |
| Details | binding site for residue CL F 605 |
| Chain | Residue |
| F | GLY68 |
| F | ILE69 |
| F | ALA70 |
| F | ASP71 |
