4DPH
Quadruple mutant (N51I+C59R+S108N+I164L) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with P65 and NADPH
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
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 | 0008152 | biological_process | 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 | 0000166 | molecular_function | nucleotide binding |
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 | 0008152 | biological_process | 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 | 14 |
Details | BINDING SITE FOR RESIDUE P65 A 701 |
Chain | Residue |
A | ILE14 |
A | PRO113 |
A | LEU164 |
A | TYR170 |
A | THR185 |
A | NDP702 |
A | CYS15 |
A | ALA16 |
A | LEU46 |
A | ASP54 |
A | MET55 |
A | PHE58 |
A | ASN108 |
A | ILE112 |
site_id | AC2 |
Number of Residues | 30 |
Details | BINDING SITE FOR RESIDUE NDP A 702 |
Chain | Residue |
A | CYS15 |
A | ALA16 |
A | LEU40 |
A | GLY41 |
A | GLY44 |
A | VAL45 |
A | LEU46 |
A | GLY105 |
A | ARG106 |
A | THR107 |
A | ASN108 |
A | LEU127 |
A | SER128 |
A | ARG129 |
A | THR130 |
A | ASN144 |
A | VAL146 |
A | LEU164 |
A | GLY165 |
A | GLY166 |
A | SER167 |
A | VAL168 |
A | VAL169 |
A | TYR170 |
A | GLU172 |
A | VAL195 |
A | P65701 |
A | HOH964 |
A | HOH968 |
A | HOH985 |
site_id | AC3 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE PO4 A 703 |
Chain | Residue |
A | ARG510 |
A | SER511 |
A | HOH930 |
A | HOH999 |
B | ARG470 |
B | ARG471 |
B | HOH974 |
site_id | AC4 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE BME A 705 |
Chain | Residue |
A | GLN99 |
A | ARG122 |
site_id | AC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE BME A 706 |
Chain | Residue |
A | ILE562 |
A | ASN565 |
A | ARG566 |
site_id | AC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE P65 B 701 |
Chain | Residue |
B | ILE14 |
B | CYS15 |
B | VAL45 |
B | LEU46 |
B | ASP54 |
B | PHE58 |
B | ASN108 |
B | PRO113 |
B | LEU164 |
B | TYR170 |
B | THR185 |
B | NDP702 |
site_id | AC7 |
Number of Residues | 23 |
Details | BINDING SITE FOR RESIDUE NDP B 702 |
Chain | Residue |
B | CYS15 |
B | ALA16 |
B | LEU40 |
B | GLY44 |
B | VAL45 |
B | GLY105 |
B | ARG106 |
B | THR107 |
B | ASN108 |
B | LEU127 |
B | SER128 |
B | ARG129 |
B | THR130 |
B | ASN144 |
B | LYS145 |
B | LEU164 |
B | GLY166 |
B | SER167 |
B | VAL168 |
B | VAL169 |
B | TYR170 |
B | GLU172 |
B | P65701 |
site_id | AC8 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE PO4 B 703 |
Chain | Residue |
A | ARG470 |
A | ARG471 |
B | ARG345 |
B | ARG510 |
B | SER511 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE BME B 704 |
Chain | Residue |
B | GLY378 |
B | ILE379 |
B | HOH959 |
A | HOH890 |
B | PHE375 |
B | LEU376 |
Functional Information from PROSITE/UniProt
site_id | PS00075 |
Number of Residues | 24 |
Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GLGnkgvLPWkcislDmkyFravT |
Chain | Residue | Details |
A | GLY39-THR62 |
site_id | PS00091 |
Number of Residues | 29 |
Details | THYMIDYLATE_SYNTHASE Thymidylate synthase active site. RriLlcaWNvkdldqma.....LpPCHilcQFyV |
Chain | Residue | Details |
A | ARG470-VAL498 |