4FZB
Structure of thymidylate synthase ThyX complexed to a new inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| A | 0006231 | biological_process | dTMP biosynthetic process |
| A | 0006235 | biological_process | dTTP biosynthetic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0032259 | biological_process | methylation |
| A | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| A | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| A | 0070402 | molecular_function | NADPH binding |
| B | 0004799 | molecular_function | thymidylate synthase activity |
| B | 0006231 | biological_process | dTMP biosynthetic process |
| B | 0006235 | biological_process | dTTP biosynthetic process |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0032259 | biological_process | methylation |
| B | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| B | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| B | 0070402 | molecular_function | NADPH binding |
| C | 0004799 | molecular_function | thymidylate synthase activity |
| C | 0006231 | biological_process | dTMP biosynthetic process |
| C | 0006235 | biological_process | dTTP biosynthetic process |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0016740 | molecular_function | transferase activity |
| C | 0032259 | biological_process | methylation |
| C | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| C | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| C | 0070402 | molecular_function | NADPH binding |
| D | 0004799 | molecular_function | thymidylate synthase activity |
| D | 0006231 | biological_process | dTMP biosynthetic process |
| D | 0006235 | biological_process | dTTP biosynthetic process |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0009165 | biological_process | nucleotide biosynthetic process |
| D | 0016740 | molecular_function | transferase activity |
| D | 0032259 | biological_process | methylation |
| D | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| D | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| D | 0070402 | molecular_function | NADPH binding |
| E | 0004799 | molecular_function | thymidylate synthase activity |
| E | 0006231 | biological_process | dTMP biosynthetic process |
| E | 0006235 | biological_process | dTTP biosynthetic process |
| E | 0008168 | molecular_function | methyltransferase activity |
| E | 0009165 | biological_process | nucleotide biosynthetic process |
| E | 0016740 | molecular_function | transferase activity |
| E | 0032259 | biological_process | methylation |
| E | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| E | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| E | 0070402 | molecular_function | NADPH binding |
| F | 0004799 | molecular_function | thymidylate synthase activity |
| F | 0006231 | biological_process | dTMP biosynthetic process |
| F | 0006235 | biological_process | dTTP biosynthetic process |
| F | 0008168 | molecular_function | methyltransferase activity |
| F | 0009165 | biological_process | nucleotide biosynthetic process |
| F | 0016740 | molecular_function | transferase activity |
| F | 0032259 | biological_process | methylation |
| F | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| F | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| F | 0070402 | molecular_function | NADPH binding |
| G | 0004799 | molecular_function | thymidylate synthase activity |
| G | 0006231 | biological_process | dTMP biosynthetic process |
| G | 0006235 | biological_process | dTTP biosynthetic process |
| G | 0008168 | molecular_function | methyltransferase activity |
| G | 0009165 | biological_process | nucleotide biosynthetic process |
| G | 0016740 | molecular_function | transferase activity |
| G | 0032259 | biological_process | methylation |
| G | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| G | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| G | 0070402 | molecular_function | NADPH binding |
| H | 0004799 | molecular_function | thymidylate synthase activity |
| H | 0006231 | biological_process | dTMP biosynthetic process |
| H | 0006235 | biological_process | dTTP biosynthetic process |
| H | 0008168 | molecular_function | methyltransferase activity |
| H | 0009165 | biological_process | nucleotide biosynthetic process |
| H | 0016740 | molecular_function | transferase activity |
| H | 0032259 | biological_process | methylation |
| H | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| H | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| H | 0070402 | molecular_function | NADPH binding |
| I | 0004799 | molecular_function | thymidylate synthase activity |
| I | 0006231 | biological_process | dTMP biosynthetic process |
| I | 0006235 | biological_process | dTTP biosynthetic process |
| I | 0008168 | molecular_function | methyltransferase activity |
| I | 0009165 | biological_process | nucleotide biosynthetic process |
| I | 0016740 | molecular_function | transferase activity |
| I | 0032259 | biological_process | methylation |
| I | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| I | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| I | 0070402 | molecular_function | NADPH binding |
| J | 0004799 | molecular_function | thymidylate synthase activity |
| J | 0006231 | biological_process | dTMP biosynthetic process |
| J | 0006235 | biological_process | dTTP biosynthetic process |
| J | 0008168 | molecular_function | methyltransferase activity |
| J | 0009165 | biological_process | nucleotide biosynthetic process |
| J | 0016740 | molecular_function | transferase activity |
| J | 0032259 | biological_process | methylation |
| J | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| J | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| J | 0070402 | molecular_function | NADPH binding |
| K | 0004799 | molecular_function | thymidylate synthase activity |
| K | 0006231 | biological_process | dTMP biosynthetic process |
| K | 0006235 | biological_process | dTTP biosynthetic process |
| K | 0008168 | molecular_function | methyltransferase activity |
| K | 0009165 | biological_process | nucleotide biosynthetic process |
| K | 0016740 | molecular_function | transferase activity |
| K | 0032259 | biological_process | methylation |
| K | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| K | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| K | 0070402 | molecular_function | NADPH binding |
| L | 0004799 | molecular_function | thymidylate synthase activity |
| L | 0006231 | biological_process | dTMP biosynthetic process |
| L | 0006235 | biological_process | dTTP biosynthetic process |
| L | 0008168 | molecular_function | methyltransferase activity |
| L | 0009165 | biological_process | nucleotide biosynthetic process |
| L | 0016740 | molecular_function | transferase activity |
| L | 0032259 | biological_process | methylation |
| L | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| L | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| L | 0070402 | molecular_function | NADPH binding |
| M | 0004799 | molecular_function | thymidylate synthase activity |
| M | 0006231 | biological_process | dTMP biosynthetic process |
| M | 0006235 | biological_process | dTTP biosynthetic process |
| M | 0008168 | molecular_function | methyltransferase activity |
| M | 0009165 | biological_process | nucleotide biosynthetic process |
| M | 0016740 | molecular_function | transferase activity |
| M | 0032259 | biological_process | methylation |
| M | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| M | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| M | 0070402 | molecular_function | NADPH binding |
| N | 0004799 | molecular_function | thymidylate synthase activity |
| N | 0006231 | biological_process | dTMP biosynthetic process |
| N | 0006235 | biological_process | dTTP biosynthetic process |
| N | 0008168 | molecular_function | methyltransferase activity |
| N | 0009165 | biological_process | nucleotide biosynthetic process |
| N | 0016740 | molecular_function | transferase activity |
| N | 0032259 | biological_process | methylation |
| N | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| N | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| N | 0070402 | molecular_function | NADPH binding |
| O | 0004799 | molecular_function | thymidylate synthase activity |
| O | 0006231 | biological_process | dTMP biosynthetic process |
| O | 0006235 | biological_process | dTTP biosynthetic process |
| O | 0008168 | molecular_function | methyltransferase activity |
| O | 0009165 | biological_process | nucleotide biosynthetic process |
| O | 0016740 | molecular_function | transferase activity |
| O | 0032259 | biological_process | methylation |
| O | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| O | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| O | 0070402 | molecular_function | NADPH binding |
| P | 0004799 | molecular_function | thymidylate synthase activity |
| P | 0006231 | biological_process | dTMP biosynthetic process |
| P | 0006235 | biological_process | dTTP biosynthetic process |
| P | 0008168 | molecular_function | methyltransferase activity |
| P | 0009165 | biological_process | nucleotide biosynthetic process |
| P | 0016740 | molecular_function | transferase activity |
| P | 0032259 | biological_process | methylation |
| P | 0050660 | molecular_function | flavin adenine dinucleotide binding |
| P | 0050797 | molecular_function | thymidylate synthase (FAD) activity |
| P | 0070402 | molecular_function | NADPH binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE FAD A 301 |
| Chain | Residue |
| A | TRP54 |
| A | ARG182 |
| A | FAD302 |
| A | 0VJ303 |
| A | HOH402 |
| A | HOH403 |
| C | GLN85 |
| C | GLU86 |
| C | SER88 |
| D | SER30 |
| D | ASN31 |
| A | ARG78 |
| D | HIS51 |
| D | HIS53 |
| D | TRP54 |
| D | SER55 |
| D | GLU58 |
| D | ARG173 |
| A | HIS79 |
| A | ARG80 |
| A | SER81 |
| A | ARG173 |
| A | ASP174 |
| A | HIS177 |
| A | LEU181 |
| site_id | AC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD A 302 |
| Chain | Residue |
| A | ASN31 |
| A | HIS51 |
| A | HIS53 |
| A | TRP54 |
| A | SER55 |
| A | ARG173 |
| A | FAD301 |
| A | HOH407 |
| B | GLN85 |
| B | GLU86 |
| B | SER88 |
| B | 0VJ303 |
| D | ARG78 |
| D | HIS79 |
| D | ARG80 |
| D | SER81 |
| D | ARG173 |
| D | ASP174 |
| D | HIS177 |
| D | ARG182 |
| site_id | AC3 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ A 303 |
| Chain | Residue |
| A | GLN75 |
| A | ARG78 |
| A | ARG182 |
| A | GLY186 |
| A | GLN188 |
| A | FAD301 |
| C | GLU86 |
| C | PHE87 |
| C | SER88 |
| C | GLN89 |
| C | ARG90 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS A 304 |
| Chain | Residue |
| A | GLN85 |
| A | PHE87 |
| A | THR165 |
| A | TYR167 |
| B | VAL29 |
| site_id | AC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ A 305 |
| Chain | Residue |
| A | GLU86 |
| A | PHE87 |
| A | SER88 |
| A | GLN89 |
| A | ARG90 |
| A | GLU152 |
| C | GLN75 |
| C | ARG78 |
| C | ARG182 |
| C | GLY186 |
| C | GLN188 |
| C | FAD301 |
| site_id | AC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD B 301 |
| Chain | Residue |
| B | TRP54 |
| B | ARG78 |
| B | HIS79 |
| B | ARG80 |
| B | SER81 |
| B | ARG173 |
| B | ASP174 |
| B | HIS177 |
| B | ARG182 |
| C | SER30 |
| C | ASN31 |
| C | HIS53 |
| C | TRP54 |
| C | SER55 |
| C | ARG173 |
| C | FAD301 |
| D | GLN85 |
| D | GLU86 |
| D | SER88 |
| D | 0VJ301 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS B 302 |
| Chain | Residue |
| B | GLN85 |
| B | PHE87 |
| B | THR165 |
| B | ILE166 |
| B | TYR167 |
| site_id | AC8 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ B 303 |
| Chain | Residue |
| B | PHE87 |
| B | SER88 |
| B | GLN89 |
| B | ARG90 |
| B | GLU152 |
| D | GLN75 |
| D | ARG78 |
| D | ARG182 |
| D | GLY186 |
| D | GLN188 |
| A | FAD302 |
| site_id | AC9 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE FAD C 301 |
| Chain | Residue |
| A | GLN85 |
| A | GLU86 |
| A | SER88 |
| A | 0VJ305 |
| B | SER30 |
| B | HIS51 |
| B | HIS53 |
| B | TRP54 |
| B | SER55 |
| B | ARG173 |
| B | FAD301 |
| C | TRP54 |
| C | ARG78 |
| C | HIS79 |
| C | ARG80 |
| C | SER81 |
| C | ARG173 |
| C | ASP174 |
| C | HIS177 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS C 302 |
| Chain | Residue |
| C | GLN85 |
| C | GLU86 |
| C | PHE87 |
| C | THR165 |
| D | VAL29 |
| site_id | BC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 0VJ D 301 |
| Chain | Residue |
| B | ALA74 |
| B | GLN75 |
| B | ARG78 |
| B | ARG182 |
| B | GLY186 |
| B | GLN188 |
| B | FAD301 |
| D | GLU86 |
| D | PHE87 |
| D | SER88 |
| D | GLN89 |
| D | ARG90 |
| D | GLU152 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE DMS D 302 |
| Chain | Residue |
| C | VAL29 |
| C | SER30 |
| D | GLN85 |
| D | GLU86 |
| D | PHE87 |
| D | THR165 |
| D | TYR167 |
| site_id | BC4 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD E 301 |
| Chain | Residue |
| E | TRP54 |
| E | ARG78 |
| E | HIS79 |
| E | ARG80 |
| E | SER81 |
| E | ARG173 |
| E | ASP174 |
| E | HIS177 |
| E | ARG182 |
| E | 0VJ302 |
| G | GLN85 |
| G | GLU86 |
| G | SER88 |
| H | SER30 |
| H | HIS51 |
| H | HIS53 |
| H | TRP54 |
| H | SER55 |
| H | ARG173 |
| H | FAD302 |
| site_id | BC5 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ E 302 |
| Chain | Residue |
| E | GLN75 |
| E | ARG78 |
| E | ARG182 |
| E | GLY186 |
| E | GLN188 |
| E | FAD301 |
| G | GLU86 |
| G | PHE87 |
| G | SER88 |
| G | GLN89 |
| G | ARG90 |
| G | GLU152 |
| site_id | BC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS E 303 |
| Chain | Residue |
| E | GLN85 |
| E | GLU86 |
| E | PHE87 |
| E | THR165 |
| E | TYR167 |
| site_id | BC7 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FAD F 301 |
| Chain | Residue |
| F | ARG78 |
| F | HIS79 |
| F | ARG80 |
| F | SER81 |
| F | ARG173 |
| F | ASP174 |
| F | HIS177 |
| F | LEU181 |
| F | ARG182 |
| F | FAD302 |
| F | HOH412 |
| G | ASN31 |
| G | HIS51 |
| G | HIS53 |
| G | TRP54 |
| G | SER55 |
| G | ARG173 |
| G | HOH410 |
| H | GLN85 |
| H | GLU86 |
| H | SER88 |
| H | 0VJ301 |
| site_id | BC8 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE FAD F 302 |
| Chain | Residue |
| E | GLN85 |
| E | GLU86 |
| F | ASN31 |
| F | HIS51 |
| F | HIS53 |
| F | TRP54 |
| F | SER55 |
| F | ARG173 |
| F | FAD301 |
| G | TRP54 |
| G | ARG78 |
| G | HIS79 |
| G | ARG80 |
| G | SER81 |
| G | ARG173 |
| G | ASP174 |
| G | HIS177 |
| G | LEU181 |
| G | 0VJ301 |
| site_id | BC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS F 303 |
| Chain | Residue |
| E | VAL29 |
| F | GLN85 |
| F | GLU86 |
| F | PHE87 |
| F | THR165 |
| F | TYR167 |
| site_id | CC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ F 304 |
| Chain | Residue |
| F | GLU86 |
| F | PHE87 |
| F | SER88 |
| F | GLN89 |
| F | ARG90 |
| F | GLU152 |
| H | GLN75 |
| H | ARG182 |
| H | GLY186 |
| H | GLN188 |
| H | FAD302 |
| site_id | CC2 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ G 301 |
| Chain | Residue |
| E | GLU86 |
| E | PHE87 |
| E | SER88 |
| E | GLN89 |
| E | ARG90 |
| F | FAD302 |
| G | GLN75 |
| G | ARG78 |
| G | ARG182 |
| G | GLY186 |
| G | GLN188 |
| site_id | CC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS G 302 |
| Chain | Residue |
| G | GLN85 |
| G | THR165 |
| H | VAL29 |
| site_id | CC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ H 301 |
| Chain | Residue |
| F | GLN75 |
| F | ARG78 |
| F | ARG182 |
| F | GLY186 |
| F | GLN188 |
| F | FAD301 |
| H | GLU86 |
| H | PHE87 |
| H | SER88 |
| H | GLN89 |
| H | ARG90 |
| H | GLU152 |
| site_id | CC5 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE FAD H 302 |
| Chain | Residue |
| E | SER30 |
| E | ASN31 |
| E | HIS51 |
| E | HIS53 |
| E | TRP54 |
| E | SER55 |
| E | ARG173 |
| E | FAD301 |
| F | GLN85 |
| F | GLU86 |
| F | SER88 |
| F | 0VJ304 |
| H | TRP54 |
| H | ARG78 |
| H | HIS79 |
| H | ARG80 |
| H | SER81 |
| H | ARG173 |
| H | ASP174 |
| H | HIS177 |
| H | LEU181 |
| H | ARG182 |
| H | HOH405 |
| site_id | CC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS H 303 |
| Chain | Residue |
| H | GLN85 |
| H | PHE87 |
| H | THR165 |
| H | TYR167 |
| site_id | CC7 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FAD I 301 |
| Chain | Residue |
| I | TRP54 |
| I | ARG78 |
| I | HIS79 |
| I | ARG80 |
| I | SER81 |
| I | ARG173 |
| I | ASP174 |
| I | HIS177 |
| I | ARG182 |
| I | FAD302 |
| I | HOH402 |
| K | GLN85 |
| K | GLU86 |
| K | SER88 |
| K | 0VJ301 |
| L | ASN31 |
| L | HIS51 |
| L | HIS53 |
| L | TRP54 |
| L | SER55 |
| L | ARG173 |
| L | HOH401 |
| site_id | CC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE FAD I 302 |
| Chain | Residue |
| I | SER30 |
| I | HIS51 |
| I | HIS53 |
| I | TRP54 |
| I | SER55 |
| I | ARG173 |
| I | FAD301 |
| J | GLN85 |
| J | GLU86 |
| J | SER88 |
| L | TRP54 |
| L | ARG78 |
| L | HIS79 |
| L | ARG80 |
| L | SER81 |
| L | ARG173 |
| L | ASP174 |
| L | HIS177 |
| L | ARG182 |
| L | 0VJ301 |
| L | HOH406 |
| site_id | CC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS I 303 |
| Chain | Residue |
| I | GLN85 |
| I | THR165 |
| I | ILE166 |
| I | TYR167 |
| J | VAL29 |
| site_id | DC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ I 304 |
| Chain | Residue |
| I | GLU86 |
| I | PHE87 |
| I | SER88 |
| I | GLN89 |
| I | ARG90 |
| I | GLU152 |
| K | ARG78 |
| K | ARG182 |
| K | GLY186 |
| K | GLN188 |
| K | FAD302 |
| site_id | DC2 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE FAD J 301 |
| Chain | Residue |
| J | TRP54 |
| J | ARG78 |
| J | HIS79 |
| J | ARG80 |
| J | SER81 |
| J | ARG173 |
| J | ASP174 |
| J | HIS177 |
| J | LEU181 |
| J | ARG182 |
| J | 0VJ302 |
| K | ASN31 |
| K | HIS51 |
| K | LYS52 |
| K | HIS53 |
| K | TRP54 |
| K | SER55 |
| K | ARG173 |
| K | FAD302 |
| L | GLN85 |
| L | GLU86 |
| L | SER88 |
| site_id | DC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ J 302 |
| Chain | Residue |
| J | GLN75 |
| J | ARG78 |
| J | ARG182 |
| J | GLY186 |
| J | GLN188 |
| J | FAD301 |
| L | GLU86 |
| L | PHE87 |
| L | SER88 |
| L | GLN89 |
| L | ARG90 |
| L | GLU152 |
| site_id | DC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 0VJ K 301 |
| Chain | Residue |
| I | ARG78 |
| I | ARG182 |
| I | GLY186 |
| I | GLN188 |
| I | FAD301 |
| K | GLU86 |
| K | PHE87 |
| K | SER88 |
| K | GLN89 |
| K | ARG90 |
| K | GLU152 |
| site_id | DC5 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE FAD K 302 |
| Chain | Residue |
| I | GLN85 |
| I | GLU86 |
| I | SER88 |
| I | 0VJ304 |
| J | SER30 |
| J | HIS51 |
| J | HIS53 |
| J | TRP54 |
| J | SER55 |
| J | ARG173 |
| J | FAD301 |
| J | HOH405 |
| K | TRP54 |
| K | ARG78 |
| K | HIS79 |
| K | ARG80 |
| K | SER81 |
| K | ARG173 |
| K | ASP174 |
| K | HIS177 |
| K | ARG182 |
| site_id | DC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS K 303 |
| Chain | Residue |
| K | GLN85 |
| K | GLU86 |
| K | PHE87 |
| K | THR165 |
| K | TYR167 |
| L | SER30 |
| site_id | DC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ L 301 |
| Chain | Residue |
| I | FAD302 |
| J | GLU86 |
| J | PHE87 |
| J | SER88 |
| J | GLN89 |
| J | ARG90 |
| J | GLU152 |
| L | GLN75 |
| L | ARG78 |
| L | ARG182 |
| L | GLY186 |
| L | GLN188 |
| site_id | DC8 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD M 301 |
| Chain | Residue |
| M | TRP54 |
| M | ARG78 |
| M | HIS79 |
| M | ARG80 |
| M | SER81 |
| M | ARG173 |
| M | ASP174 |
| M | HIS177 |
| M | ARG182 |
| O | GLN85 |
| O | GLU86 |
| O | SER88 |
| O | 0VJ301 |
| P | ASN31 |
| P | HIS51 |
| P | HIS53 |
| P | TRP54 |
| P | SER55 |
| P | ARG173 |
| P | FAD301 |
| site_id | DC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS M 302 |
| Chain | Residue |
| M | GLN85 |
| M | GLU86 |
| M | THR165 |
| M | ILE166 |
| M | TYR167 |
| site_id | EC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ M 303 |
| Chain | Residue |
| M | GLU86 |
| M | PHE87 |
| M | SER88 |
| M | GLN89 |
| M | ARG90 |
| M | GLU152 |
| O | GLN75 |
| O | ARG78 |
| O | ARG182 |
| O | GLY186 |
| O | GLN188 |
| O | FAD302 |
| site_id | EC2 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD N 301 |
| Chain | Residue |
| N | TRP54 |
| N | ARG78 |
| N | HIS79 |
| N | ARG80 |
| N | SER81 |
| N | ARG173 |
| N | ASP174 |
| N | HIS177 |
| N | LEU181 |
| N | 0VJ302 |
| O | ASN31 |
| O | HIS51 |
| O | HIS53 |
| O | TRP54 |
| O | SER55 |
| O | ARG173 |
| O | FAD302 |
| P | GLN85 |
| P | GLU86 |
| P | SER88 |
| site_id | EC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ N 302 |
| Chain | Residue |
| N | GLN75 |
| N | ARG78 |
| N | ARG182 |
| N | GLY186 |
| N | GLN188 |
| N | FAD301 |
| P | GLU86 |
| P | PHE87 |
| P | SER88 |
| P | GLN89 |
| P | ARG90 |
| P | GLU152 |
| site_id | EC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ O 301 |
| Chain | Residue |
| M | GLN75 |
| M | ARG78 |
| M | ARG182 |
| M | GLY186 |
| M | GLN188 |
| M | FAD301 |
| O | GLU86 |
| O | PHE87 |
| O | SER88 |
| O | GLN89 |
| O | ARG90 |
| O | GLU152 |
| site_id | EC5 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE FAD O 302 |
| Chain | Residue |
| M | GLN85 |
| M | GLU86 |
| M | SER88 |
| M | 0VJ303 |
| N | SER30 |
| N | HIS51 |
| N | HIS53 |
| N | TRP54 |
| N | SER55 |
| N | ARG173 |
| N | FAD301 |
| O | ARG78 |
| O | HIS79 |
| O | SER81 |
| O | ARG173 |
| O | ASP174 |
| O | HIS177 |
| O | LEU181 |
| O | ARG182 |
| site_id | EC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS O 303 |
| Chain | Residue |
| O | GLN85 |
| O | PHE87 |
| O | THR165 |
| O | TYR167 |
| P | VAL29 |
| P | SER30 |
| site_id | EC7 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE FAD P 301 |
| Chain | Residue |
| M | SER30 |
| M | HIS51 |
| M | HIS53 |
| M | TRP54 |
| M | SER55 |
| M | ARG173 |
| M | FAD301 |
| N | GLN85 |
| N | GLU86 |
| N | SER88 |
| P | TRP54 |
| P | ARG78 |
| P | HIS79 |
| P | ARG80 |
| P | SER81 |
| P | ARG173 |
| P | ASP174 |
| P | HIS177 |
| P | ARG182 |
| P | 0VJ302 |
| site_id | EC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 0VJ P 302 |
| Chain | Residue |
| N | GLU86 |
| N | PHE87 |
| N | SER88 |
| N | GLN89 |
| N | ARG90 |
| N | GLU152 |
| P | GLN75 |
| P | ARG78 |
| P | ARG182 |
| P | GLY186 |
| P | GLN188 |
| P | FAD301 |
| site_id | EC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE DMS P 303 |
| Chain | Residue |
| O | SER30 |
| P | GLN85 |
| P | PHE87 |
| P | THR165 |
| P | TYR167 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 160 |
| Details | Motif: {"description":"ThyX motif","evidences":[{"source":"PROSITE-ProRule","id":"PRU00661","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 16 |
| Details | Active site: {"description":"Involved in ionization of N3 of dUMP, leading to its activation","evidences":[{"source":"UniProtKB","id":"Q9WYT0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 144 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q9WYT0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 80 |
| Details | Binding site: {"description":"in other chain","evidences":[{"source":"UniProtKB","id":"Q9WYT0","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
