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 | 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 | 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 | 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 | 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 | 2 |
Details | ACT_SITE: ACT_SITE => ECO:0000250 |
Chain | Residue | Details |
A | CYS403 | |
B | CYS403 |
site_id | SWS_FT_FI2 |
Number of Residues | 30 |
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 | |
A | ASP48 | |
A | ARG78 | |
A | LEU99 | |
A | ILE154 | |
A | GLY155 | |
A | TYR160 |