3QG2
Plasmodium falciparum DHFR-TS qradruple mutant (N51I+C59R+S108N+I164L, V1/S) pyrimethamine complex
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
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 | 0000166 | molecular_function | nucleotide binding |
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 | 13 |
Details | BINDING SITE FOR RESIDUE CP6 A 609 |
Chain | Residue |
A | ILE14 |
A | LEU164 |
A | TYR170 |
A | THR185 |
A | NDP610 |
A | CYS15 |
A | ALA16 |
A | ASP54 |
A | MET55 |
A | PHE58 |
A | ASN108 |
A | SER111 |
A | ILE112 |
site_id | AC2 |
Number of Residues | 32 |
Details | BINDING SITE FOR RESIDUE NDP A 610 |
Chain | Residue |
A | CYS15 |
A | ALA16 |
A | LEU40 |
A | GLY44 |
A | VAL45 |
A | LEU46 |
A | TRP48 |
A | GLY105 |
A | ARG106 |
A | THR107 |
A | ASN108 |
A | LEU127 |
A | SER128 |
A | ARG129 |
A | THR130 |
A | ASN144 |
A | LEU164 |
A | GLY165 |
A | GLY166 |
A | SER167 |
A | VAL168 |
A | VAL169 |
A | TYR170 |
A | GLU172 |
A | VAL195 |
A | CP6609 |
A | HOH1175 |
A | HOH1367 |
A | HOH1380 |
A | HOH1432 |
A | HOH1475 |
A | HOH1512 |
site_id | AC3 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE UMP A 611 |
Chain | Residue |
A | CYS490 |
A | HIS491 |
A | GLN509 |
A | ARG510 |
A | SER511 |
A | ASP513 |
A | GLY517 |
A | ASN521 |
A | HIS551 |
A | TYR553 |
A | HOH1236 |
A | HOH1493 |
B | ARG470 |
B | ARG471 |
site_id | AC4 |
Number of Residues | 13 |
Details | BINDING SITE FOR RESIDUE CP6 B 709 |
Chain | Residue |
B | ILE14 |
B | CYS15 |
B | ALA16 |
B | ASP54 |
B | MET55 |
B | PHE58 |
B | ASN108 |
B | SER111 |
B | ILE112 |
B | LEU164 |
B | TYR170 |
B | THR185 |
B | NDP710 |
site_id | AC5 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE NDP B 710 |
Chain | Residue |
B | CP6709 |
B | CYS15 |
B | ALA16 |
B | LEU40 |
B | GLY44 |
B | VAL45 |
B | LEU46 |
B | TRP48 |
B | GLY105 |
B | ARG106 |
B | THR107 |
B | ASN108 |
B | LYS115 |
B | LEU127 |
B | SER128 |
B | ARG129 |
B | THR130 |
B | ASN144 |
B | VAL146 |
B | LEU164 |
B | GLY165 |
B | GLY166 |
B | SER167 |
B | VAL168 |
B | VAL169 |
B | TYR170 |
B | GLU172 |
B | VAL195 |
site_id | AC6 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE UMP B 711 |
Chain | Residue |
A | ARG470 |
A | ARG471 |
B | ARG345 |
B | CYS490 |
B | HIS491 |
B | GLN509 |
B | ARG510 |
B | SER511 |
B | ASP513 |
B | GLY517 |
B | ASN521 |
B | HIS551 |
B | TYR553 |
B | HOH1043 |
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 |