3IRM
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH Cycloguanil
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| A | 0006231 | biological_process | dTMP biosynthetic process |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009165 | biological_process | nucleotide biosynthetic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| A | 0032259 | biological_process | methylation |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0004799 | molecular_function | thymidylate synthase activity |
| B | 0006231 | biological_process | dTMP biosynthetic process |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0009165 | biological_process | nucleotide biosynthetic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| B | 0032259 | biological_process | methylation |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| C | 0004146 | molecular_function | dihydrofolate reductase activity |
| C | 0004799 | molecular_function | thymidylate synthase activity |
| C | 0006231 | biological_process | dTMP biosynthetic process |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0008168 | molecular_function | methyltransferase activity |
| C | 0009165 | biological_process | nucleotide biosynthetic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| C | 0032259 | biological_process | methylation |
| C | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| D | 0004146 | molecular_function | dihydrofolate reductase activity |
| D | 0004799 | molecular_function | thymidylate synthase activity |
| D | 0006231 | biological_process | dTMP biosynthetic process |
| D | 0006730 | biological_process | one-carbon metabolic process |
| D | 0008168 | molecular_function | methyltransferase activity |
| D | 0009165 | biological_process | nucleotide biosynthetic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| D | 0032259 | biological_process | methylation |
| D | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 1CY A 601 |
| Chain | Residue |
| A | VAL26 |
| A | TYR160 |
| A | VAL27 |
| A | ALA28 |
| A | ASP48 |
| A | MET49 |
| A | PHE52 |
| A | THR80 |
| A | ILE84 |
| A | ILE154 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 A 701 |
| Chain | Residue |
| A | ARG423 |
| A | SER424 |
| A | HOH1626 |
| B | ARG383 |
| B | ARG384 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE PO4 A 705 |
| Chain | Residue |
| A | ARG78 |
| A | LEU99 |
| A | SER100 |
| A | SER101 |
| A | THR102 |
| A | HOH1091 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT A 801 |
| Chain | Residue |
| A | GLY77 |
| A | ARG78 |
| A | LYS79 |
| A | THR80 |
| A | GLY156 |
| A | SER158 |
| A | ACT802 |
| A | HOH1091 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT A 802 |
| Chain | Residue |
| A | ARG39 |
| A | LYS79 |
| A | GLY156 |
| A | GLY157 |
| A | SER158 |
| A | ACT801 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ACT A 803 |
| Chain | Residue |
| A | VAL193 |
| A | TRP206 |
| A | ARG208 |
| site_id | AC7 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 1CY B 602 |
| Chain | Residue |
| B | VAL26 |
| B | VAL27 |
| B | ALA28 |
| B | ARG39 |
| B | ASP48 |
| B | MET49 |
| B | PHE52 |
| B | THR80 |
| B | ILE84 |
| B | ILE154 |
| B | TYR160 |
| B | THR178 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 B 702 |
| Chain | Residue |
| A | ARG383 |
| A | ARG384 |
| B | ARG423 |
| B | SER424 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 B 706 |
| Chain | Residue |
| B | ARG78 |
| B | SER100 |
| B | SER101 |
| B | THR102 |
| B | HOH1545 |
| site_id | BC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE ACT B 804 |
| Chain | Residue |
| B | GLY77 |
| B | ARG78 |
| B | LYS79 |
| B | THR80 |
| B | GLY156 |
| B | SER158 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT B 805 |
| Chain | Residue |
| B | SER24 |
| B | GLN173 |
| B | ALA174 |
| B | TYR176 |
| B | LYS229 |
| B | HOH1248 |
| B | HOH1580 |
| site_id | BC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE ACT B 806 |
| Chain | Residue |
| B | ILE248 |
| B | ASN474 |
| B | HOH1216 |
| B | HOH1578 |
| D | ARG208 |
| D | THR210 |
| D | ILE211 |
| site_id | BC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 1CY C 603 |
| Chain | Residue |
| C | VAL26 |
| C | VAL27 |
| C | ALA28 |
| C | ASP48 |
| C | PHE52 |
| C | THR80 |
| C | ILE84 |
| C | ILE154 |
| C | TYR160 |
| C | THR178 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PO4 C 703 |
| Chain | Residue |
| C | ARG423 |
| C | SER424 |
| D | ARG383 |
| D | ARG384 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE PO4 C 707 |
| Chain | Residue |
| C | HOH1475 |
| C | ARG78 |
| C | LEU99 |
| C | SER100 |
| C | SER101 |
| C | THR102 |
| C | HOH1005 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ACT C 807 |
| Chain | Residue |
| C | LYS79 |
| C | THR80 |
| C | GLY156 |
| C | SER158 |
| C | HOH1325 |
| site_id | BC8 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 1CY D 604 |
| Chain | Residue |
| D | VAL26 |
| D | VAL27 |
| D | ALA28 |
| D | ASP48 |
| D | MET49 |
| D | PHE52 |
| D | THR80 |
| D | ILE84 |
| D | ILE154 |
| D | THR178 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 D 704 |
| Chain | Residue |
| C | ARG383 |
| C | ARG384 |
| D | ARG423 |
| D | SER424 |
| D | HOH1566 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE PO4 D 708 |
| Chain | Residue |
| D | ARG78 |
| D | SER100 |
| D | SER101 |
| D | THR102 |
| D | HOH1008 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE ACT D 808 |
| Chain | Residue |
| D | GLY77 |
| D | LYS79 |
| D | THR80 |
| D | GLY156 |
| D | SER158 |
| D | VAL159 |
| D | HOH1338 |
| D | HOH1497 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGdgrsIPWnvpe.DmkfFrdlT |
| Chain | Residue | Details |
| A | GLY34-THR56 |
| site_id | PS00091 |
| Number of Residues | 29 |
| Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RrmLftaWNpsalprma.....LpPCHllaQFyV |
| Chain | Residue | Details |
| A | ARG383-VAL411 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: ACT_SITE => ECO:0000250 |
| Chain | Residue | Details |
| A | CYS403 | |
| B | CYS403 | |
| C | CYS403 | |
| D | CYS403 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 60 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | VAL26 | |
| A | THR178 | |
| A | ARG257 | |
| A | HIS404 | |
| A | GLN422 | |
| A | ASN434 | |
| A | HIS464 | |
| B | VAL26 | |
| B | ALA28 | |
| B | GLY34 | |
| B | ASP48 | |
| A | ALA28 | |
| B | ARG78 | |
| B | LEU99 | |
| B | ILE154 | |
| B | GLY155 | |
| B | TYR160 | |
| B | THR178 | |
| B | ARG257 | |
| B | HIS404 | |
| B | GLN422 | |
| B | ASN434 | |
| A | GLY34 | |
| B | HIS464 | |
| C | VAL26 | |
| C | ALA28 | |
| C | GLY34 | |
| C | ASP48 | |
| C | ARG78 | |
| C | LEU99 | |
| C | ILE154 | |
| C | GLY155 | |
| C | TYR160 | |
| A | ASP48 | |
| C | THR178 | |
| C | ARG257 | |
| C | HIS404 | |
| C | GLN422 | |
| C | ASN434 | |
| C | HIS464 | |
| D | VAL26 | |
| D | ALA28 | |
| D | GLY34 | |
| D | ASP48 | |
| A | ARG78 | |
| D | ARG78 | |
| D | LEU99 | |
| D | ILE154 | |
| D | GLY155 | |
| D | TYR160 | |
| D | THR178 | |
| D | ARG257 | |
| D | HIS404 | |
| D | GLN422 | |
| D | ASN434 | |
| A | LEU99 | |
| D | HIS464 | |
| A | ILE154 | |
| A | GLY155 | |
| A | TYR160 |
