1J3J
Double mutant (C59R+S108N) Plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with pyrimethamine, NADPH, and dUMP
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0004146 | molecular_function | dihydrofolate reductase activity |
A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
A | 0050661 | molecular_function | NADP binding |
B | 0004146 | molecular_function | dihydrofolate reductase activity |
B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
B | 0050661 | molecular_function | NADP binding |
C | 0004799 | molecular_function | thymidylate synthase activity |
C | 0006231 | biological_process | dTMP biosynthetic process |
C | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
D | 0004799 | molecular_function | thymidylate synthase activity |
D | 0006231 | biological_process | dTMP biosynthetic process |
D | 0016741 | molecular_function | transferase activity, transferring one-carbon groups |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 11 |
Details | BINDING SITE FOR RESIDUE CP6 A 609 |
Chain | Residue |
A | ILE14 |
A | THR185 |
A | NDP610 |
A | CYS15 |
A | ASP54 |
A | PHE58 |
A | ASN108 |
A | SER111 |
A | ILE112 |
A | ILE164 |
A | TYR170 |
site_id | AC2 |
Number of Residues | 30 |
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 | ILE164 |
A | GLY165 |
A | GLY166 |
A | SER167 |
A | VAL168 |
A | VAL169 |
A | TYR170 |
A | GLU172 |
A | VAL195 |
A | CP6609 |
A | HOH1424 |
A | HOH1425 |
A | HOH1426 |
A | HOH1427 |
site_id | AC3 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE UMP C 611 |
Chain | Residue |
C | CYS490 |
C | HIS491 |
C | GLN509 |
C | ARG510 |
C | SER511 |
C | ASP513 |
C | GLY517 |
C | ASN521 |
C | HIS551 |
C | TYR553 |
C | HOH1183 |
C | HOH1375 |
D | ARG470 |
D | ARG471 |
site_id | AC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE CP6 B 709 |
Chain | Residue |
B | ILE14 |
B | CYS15 |
B | ALA16 |
B | ASP54 |
B | PHE58 |
B | ASN108 |
B | SER111 |
B | ILE112 |
B | ILE164 |
B | TYR170 |
B | THR185 |
B | NDP710 |
site_id | AC5 |
Number of Residues | 26 |
Details | BINDING SITE FOR RESIDUE NDP B 710 |
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 | ILE164 |
B | GLY165 |
B | GLY166 |
B | SER167 |
B | VAL168 |
B | VAL169 |
B | TYR170 |
B | GLU172 |
B | VAL195 |
B | CP6709 |
B | HOH1627 |
site_id | AC6 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE UMP D 711 |
Chain | Residue |
D | SER511 |
D | ASP513 |
D | ASN521 |
D | HIS551 |
D | TYR553 |
D | HOH1073 |
C | ARG470 |
C | ARG471 |
D | CYS490 |
D | HIS491 |
D | GLN509 |
D | ARG510 |
Functional Information from PROSITE/UniProt
site_id | PS00075 |
Number of Residues | 24 |
Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GLGnkgvLPWkcnslDmkyFravT |
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 |
C | ARG470-VAL498 |
Functional Information from SwissProt/UniProt
site_id | SWS_FT_FI1 |
Number of Residues | 2 |
Details | ACT_SITE: ACT_SITE => ECO:0000250 |
Chain | Residue | Details |
C | CYS490 | |
A | GLY165 | |
A | TYR170 | |
B | ILE14 | |
B | ALA16 | |
B | GLY39 | |
B | ASP54 | |
B | ARG106 | |
B | ASN108 | |
B | SER128 | |
B | ASN144 | |
D | CYS490 | |
B | ILE164 | |
B | GLY165 | |
B | TYR170 | |
A | GLY39 | |
A | ASP54 | |
A | ARG106 | |
A | ASN108 | |
A | SER128 | |
A | ASN144 | |
A | ILE164 |
site_id | SWS_FT_FI2 |
Number of Residues | 10 |
Details | BINDING: |
Chain | Residue | Details |
C | ARG345 | |
D | HIS551 | |
C | HIS491 | |
C | GLN509 | |
C | ASN521 | |
C | HIS551 | |
D | ARG345 | |
D | HIS491 | |
D | GLN509 | |
D | ASN521 |
Catalytic Information from CSA
site_id | CSA1 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1b02 |
Chain | Residue | Details |
C | ASN521 | |
C | CYS490 | |
C | SER524 |
site_id | CSA2 |
Number of Residues | 3 |
Details | Annotated By Reference To The Literature 1b02 |
Chain | Residue | Details |
D | ASN521 | |
D | CYS490 | |
D | SER524 |
site_id | CSA3 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1b02 |
Chain | Residue | Details |
A | ASP54 | |
A | LEU46 |
site_id | CSA4 |
Number of Residues | 2 |
Details | Annotated By Reference To The Literature 1b02 |
Chain | Residue | Details |
B | ASP54 | |
B | LEU46 |