3INV
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH, dUMP AND C-448 ANTIFOLATE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003824 | molecular_function | catalytic activity |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0004799 | molecular_function | thymidylate synthase activity |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| 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 | 0016740 | molecular_function | transferase activity |
| A | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| A | 0032259 | biological_process | methylation |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0003824 | molecular_function | catalytic activity |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0004799 | molecular_function | thymidylate synthase activity |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| 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 | 0016740 | molecular_function | transferase activity |
| B | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
| B | 0032259 | biological_process | methylation |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE C50 A 601 |
| Chain | Residue |
| A | VAL26 |
| A | TYR160 |
| A | NDP602 |
| A | VAL27 |
| A | ILE41 |
| A | ASP48 |
| A | MET49 |
| A | PHE52 |
| A | THR80 |
| A | PHE88 |
| A | ILE154 |
| site_id | AC2 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP A 602 |
| Chain | Residue |
| A | VAL27 |
| A | ALA28 |
| A | ILE35 |
| A | GLY36 |
| A | ASP37 |
| A | GLY38 |
| A | ARG39 |
| A | SER40 |
| A | ILE41 |
| A | GLY77 |
| A | ARG78 |
| A | LYS79 |
| A | THR80 |
| A | LEU99 |
| A | SER100 |
| A | SER101 |
| A | THR102 |
| A | GLY130 |
| A | GLY131 |
| A | ILE154 |
| A | GLY155 |
| A | GLY156 |
| A | GLY157 |
| A | SER158 |
| A | VAL159 |
| A | TYR160 |
| A | C50601 |
| A | HOH1073 |
| A | HOH1156 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE UMP A 603 |
| Chain | Residue |
| A | ARG257 |
| A | CYS403 |
| A | HIS404 |
| A | GLN422 |
| A | ARG423 |
| A | SER424 |
| A | CYS425 |
| A | ASP426 |
| A | GLY430 |
| A | ASN434 |
| A | HIS464 |
| A | TYR466 |
| A | GOL701 |
| A | GOL705 |
| A | HOH1036 |
| A | HOH1160 |
| B | ARG383 |
| B | ARG384 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 701 |
| Chain | Residue |
| A | LEU429 |
| A | PHE433 |
| A | UMP603 |
| A | GOL705 |
| site_id | AC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 705 |
| Chain | Residue |
| A | GLU295 |
| A | TYR343 |
| A | HIS404 |
| A | PHE433 |
| A | UMP603 |
| A | GOL701 |
| A | HOH1197 |
| site_id | AC6 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE C50 B 601 |
| Chain | Residue |
| B | VAL26 |
| B | VAL27 |
| B | ILE41 |
| B | ASP48 |
| B | PHE52 |
| B | ILE84 |
| B | PRO85 |
| B | PHE88 |
| B | ILE154 |
| B | TYR160 |
| B | THR178 |
| B | NDP602 |
| site_id | AC7 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NDP B 602 |
| Chain | Residue |
| B | GLY155 |
| B | GLY156 |
| B | GLY157 |
| B | SER158 |
| B | VAL159 |
| B | TYR160 |
| B | C50601 |
| B | HOH1274 |
| B | ALA28 |
| B | ILE35 |
| B | ASP37 |
| B | GLY38 |
| B | ARG39 |
| B | SER40 |
| B | ILE41 |
| B | GLY77 |
| B | ARG78 |
| B | LYS79 |
| B | THR80 |
| B | LEU99 |
| B | SER100 |
| B | SER101 |
| B | THR102 |
| B | GLY130 |
| B | GLY131 |
| B | ILE154 |
| site_id | AC8 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE UMP B 603 |
| Chain | Residue |
| A | ARG383 |
| A | ARG384 |
| B | CYS403 |
| B | HIS404 |
| B | GLN422 |
| B | ARG423 |
| B | SER424 |
| B | ASP426 |
| B | GLY430 |
| B | ASN434 |
| B | HIS464 |
| B | TYR466 |
| B | GOL703 |
| B | GOL704 |
| B | HOH1146 |
| B | HOH1218 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 702 |
| Chain | Residue |
| A | GLY267 |
| B | GLN239 |
| B | GLN269 |
| B | ARG271 |
| B | HOH1031 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL B 703 |
| Chain | Residue |
| B | GLY430 |
| B | UMP603 |
| B | GOL704 |
| site_id | BC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL B 704 |
| Chain | Residue |
| B | GLU295 |
| B | ILE316 |
| B | TYR343 |
| B | HIS404 |
| B | UMP603 |
| B | GOL703 |
| B | HOH1067 |
| B | HOH1111 |
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 | 420 |
| Details | Domain: {"description":"DHFR"} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 66 |
| Details | Binding site: {} |
| Chain | Residue | Details |
