3IRN
Trypanosoma cruzi Dihydrofolate Reductase-Thymidylate Synthase COMPLEXED WITH NADPH AND 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 | 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 |
C | 0004146 | molecular_function | dihydrofolate reductase activity |
C | 0004799 | molecular_function | thymidylate synthase activity |
C | 0005739 | cellular_component | mitochondrion |
C | 0005829 | cellular_component | cytosol |
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 | 0005739 | cellular_component | mitochondrion |
D | 0005829 | cellular_component | cytosol |
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 | NDP701 |
A | VAL27 |
A | ALA28 |
A | ASP48 |
A | PHE52 |
A | THR80 |
A | ILE84 |
A | ILE154 |
A | TYR160 |
site_id | AC2 |
Number of Residues | 24 |
Details | BINDING SITE FOR RESIDUE NDP A 701 |
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 | GLY156 |
A | GLY157 |
A | SER158 |
A | TYR160 |
A | 1CY601 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 A 801 |
Chain | Residue |
A | ARG423 |
A | SER424 |
B | ARG383 |
B | ARG384 |
site_id | AC4 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE PO4 A 802 |
Chain | Residue |
A | ARG384 |
B | ARG423 |
B | SER424 |
site_id | AC5 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE 1CY B 602 |
Chain | Residue |
B | VAL26 |
B | VAL27 |
B | ALA28 |
B | ILE41 |
B | ASP48 |
B | PHE52 |
B | THR80 |
B | ILE84 |
B | ILE154 |
B | TYR160 |
B | NDP702 |
site_id | AC6 |
Number of Residues | 24 |
Details | BINDING SITE FOR RESIDUE NDP B 702 |
Chain | Residue |
B | ALA28 |
B | ILE35 |
B | GLY38 |
B | ARG39 |
B | SER40 |
B | GLY77 |
B | ARG78 |
B | LYS79 |
B | THR80 |
B | SER83 |
B | LEU99 |
B | SER100 |
B | SER101 |
B | THR102 |
B | GLY130 |
B | GLY131 |
B | ILE154 |
B | GLY155 |
B | GLY156 |
B | GLY157 |
B | SER158 |
B | VAL159 |
B | TYR160 |
B | 1CY602 |
site_id | AC7 |
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 | NDP703 |
site_id | AC8 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE NDP C 703 |
Chain | Residue |
C | SER100 |
C | SER101 |
C | THR102 |
C | GLY130 |
C | GLY131 |
C | GLY155 |
C | GLY156 |
C | GLY157 |
C | SER158 |
C | VAL159 |
C | TYR160 |
C | 1CY603 |
C | VAL27 |
C | ALA28 |
C | ILE35 |
C | GLY38 |
C | ARG39 |
C | SER40 |
C | ILE41 |
C | GLY77 |
C | ARG78 |
C | LYS79 |
C | THR80 |
C | SER83 |
C | LEU99 |
site_id | AC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 C 804 |
Chain | Residue |
C | ARG383 |
C | ARG384 |
D | ARG423 |
D | SER424 |
site_id | BC1 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE 1CY D 604 |
Chain | Residue |
D | VAL26 |
D | VAL27 |
D | ALA28 |
D | ASP48 |
D | PHE52 |
D | THR80 |
D | ILE84 |
D | ILE154 |
site_id | BC2 |
Number of Residues | 24 |
Details | BINDING SITE FOR RESIDUE NDP D 704 |
Chain | Residue |
D | ALA28 |
D | ILE35 |
D | GLY36 |
D | ASP37 |
D | ARG39 |
D | SER40 |
D | ILE41 |
D | TRP43 |
D | GLY77 |
D | ARG78 |
D | LYS79 |
D | THR80 |
D | SER83 |
D | LEU99 |
D | SER100 |
D | SER101 |
D | THR102 |
D | GLY130 |
D | GLY131 |
D | GLY155 |
D | GLY156 |
D | GLY157 |
D | SER158 |
D | TYR160 |
site_id | BC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PO4 D 803 |
Chain | Residue |
C | ARG423 |
C | SER424 |
D | ARG383 |
D | ARG384 |
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 |