6J61
Crystal Structure of Thymidylate Synthase, Thy1, from Thermus thermophilus having an Extra C Terminal Domain
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 | 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 | 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 | 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 | 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | binding site for residue FAD A 301 |
| Chain | Residue |
| A | HIS55 |
| B | ARG84 |
| B | THR85 |
| B | ALA86 |
| B | ASN89 |
| B | GLU90 |
| D | ARG82 |
| D | HIS83 |
| D | ARG84 |
| D | THR85 |
| D | HIS179 |
| A | HIS57 |
| D | FAD301 |
| D | PO4302 |
| A | SER59 |
| A | GLU62 |
| A | ASP173 |
| A | HIS175 |
| A | ASN176 |
| A | HOH404 |
| A | HOH409 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 A 302 |
| Chain | Residue |
| A | GLN79 |
| A | ARG82 |
| A | ARG184 |
| C | PO4303 |
| D | FAD301 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue PO4 A 303 |
| Chain | Residue |
| A | SER92 |
| A | GLY93 |
| A | ARG94 |
| A | ARG157 |
| A | HOH407 |
| C | ARG78 |
| C | GLN79 |
| C | ARG82 |
| C | PO4302 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 B 302 |
| Chain | Residue |
| B | GLN79 |
| B | ARG82 |
| B | ARG184 |
| C | FAD301 |
| D | PO4303 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 B 303 |
| Chain | Residue |
| B | SER92 |
| B | GLY93 |
| B | ARG94 |
| B | ARG157 |
| D | GLN79 |
| D | ARG82 |
| D | PO4302 |
| site_id | AC6 |
| Number of Residues | 17 |
| Details | binding site for residue FAD B 301 |
| Chain | Residue |
| A | ARG84 |
| A | THR85 |
| A | ALA86 |
| A | ASN89 |
| A | GLU90 |
| B | HIS55 |
| B | HIS57 |
| B | SER59 |
| B | HIS175 |
| B | ASN176 |
| C | ARG82 |
| C | HIS83 |
| C | ARG84 |
| C | THR85 |
| C | HIS179 |
| C | FAD301 |
| C | PO4302 |
| site_id | AC7 |
| Number of Residues | 20 |
| Details | binding site for residue FAD C 301 |
| Chain | Residue |
| B | ARG82 |
| B | HIS83 |
| B | ARG84 |
| B | THR85 |
| B | HIS179 |
| B | LEU183 |
| B | FAD301 |
| B | PO4302 |
| C | HIS55 |
| C | HIS57 |
| C | SER59 |
| C | THR85 |
| C | ASP173 |
| C | HIS175 |
| C | ASN176 |
| D | ARG84 |
| D | THR85 |
| D | ALA86 |
| D | ASN89 |
| D | GLU90 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 C 303 |
| Chain | Residue |
| A | GLN79 |
| A | ARG82 |
| A | PO4302 |
| C | SER92 |
| C | GLY93 |
| C | ARG94 |
| C | ARG157 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 C 302 |
| Chain | Residue |
| A | PO4303 |
| B | FAD301 |
| C | GLN79 |
| C | ARG82 |
| C | ARG184 |
| site_id | AD1 |
| Number of Residues | 21 |
| Details | binding site for residue FAD D 301 |
| Chain | Residue |
| A | THR85 |
| A | HIS179 |
| A | FAD301 |
| A | PO4302 |
| C | ARG84 |
| C | THR85 |
| C | ALA86 |
| C | ASN89 |
| C | GLU90 |
| C | SER92 |
| C | TYR95 |
| D | HIS57 |
| D | SER59 |
| D | HIS175 |
| D | ASN176 |
| D | HOH402 |
| D | HOH405 |
| D | HOH410 |
| A | ARG82 |
| A | HIS83 |
| A | ARG84 |
| site_id | AD2 |
| Number of Residues | 7 |
| Details | binding site for residue PO4 D 303 |
| Chain | Residue |
| B | GLN79 |
| B | ARG82 |
| B | PO4302 |
| D | SER92 |
| D | GLY93 |
| D | ARG94 |
| D | ARG157 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue PO4 D 302 |
| Chain | Residue |
| A | FAD301 |
| B | PO4303 |
| D | GLN79 |
| D | ARG82 |
| D | ARG184 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Involved in ionization of N3 of dUMP, leading to its activation => ECO:0000255|HAMAP-Rule:MF_01408 |
| Chain | Residue | Details |
| A | ARG184 | |
| B | ARG184 | |
| C | ARG184 | |
| D | ARG184 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_01408 |
| Chain | Residue | Details |
| A | SER59 | |
| B | ARG82 | |
| B | GLU90 | |
| B | ASP173 | |
| B | HIS179 | |
| B | ARG184 | |
| C | SER59 | |
| C | GLN79 | |
| C | ARG82 | |
| C | GLU90 | |
| C | ASP173 | |
| A | GLN79 | |
| C | HIS179 | |
| C | ARG184 | |
| D | SER59 | |
| D | GLN79 | |
| D | ARG82 | |
| D | GLU90 | |
| D | ASP173 | |
| D | HIS179 | |
| D | ARG184 | |
| A | ARG82 | |
| A | GLU90 | |
| A | ASP173 | |
| A | HIS179 | |
| A | ARG184 | |
| B | SER59 | |
| B | GLN79 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: in other chain => ECO:0000255|HAMAP-Rule:MF_01408 |
| Chain | Residue | Details |
| A | ARG157 | |
| B | ARG157 | |
| C | ARG157 | |
| D | ARG157 |
