3SGY
Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0046452 | biological_process | dihydrofolate metabolic process |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046655 | biological_process | folic acid metabolic process |
| A | 0050661 | molecular_function | NADP binding |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0046452 | biological_process | dihydrofolate metabolic process |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046655 | biological_process | folic acid metabolic process |
| B | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NDP A 207 |
| Chain | Residue |
| A | VAL6 |
| A | THR46 |
| A | LEU62 |
| A | THR63 |
| A | SER64 |
| A | HIS77 |
| A | ILE79 |
| A | PHE92 |
| A | GLY93 |
| A | GLY94 |
| A | GLN95 |
| A | ALA7 |
| A | THR96 |
| A | LEU97 |
| A | GLU100 |
| A | THR121 |
| A | 06W168 |
| A | ILE14 |
| A | ASN18 |
| A | GLN19 |
| A | LEU20 |
| A | GLY43 |
| A | ARG44 |
| A | LYS45 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 06W A 168 |
| Chain | Residue |
| A | LEU5 |
| A | VAL6 |
| A | ALA7 |
| A | ASP27 |
| A | LEU28 |
| A | VAL31 |
| A | ILE50 |
| A | LEU54 |
| A | ASN59 |
| A | PHE92 |
| A | THR111 |
| A | HOH169 |
| A | NDP207 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NDP B 207 |
| Chain | Residue |
| B | VAL6 |
| B | ALA7 |
| B | ILE14 |
| B | GLY15 |
| B | ASN18 |
| B | GLN19 |
| B | LEU20 |
| B | GLY43 |
| B | ARG44 |
| B | LYS45 |
| B | THR46 |
| B | LEU62 |
| B | THR63 |
| B | SER64 |
| B | HIS77 |
| B | ILE79 |
| B | PHE92 |
| B | GLY93 |
| B | GLY94 |
| B | GLN95 |
| B | THR96 |
| B | LEU97 |
| B | GLU100 |
| B | THR121 |
| B | 06W168 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 06W B 168 |
| Chain | Residue |
| B | LEU5 |
| B | VAL6 |
| B | ALA7 |
| B | ASP27 |
| B | LEU28 |
| B | VAL31 |
| B | MET42 |
| B | ILE50 |
| B | LEU54 |
| B | ASN59 |
| B | PHE92 |
| B | THR111 |
| B | HOH169 |
| B | NDP207 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGfenqLPWhlpn.DlkhVkklS |
| Chain | Residue | Details |
| A | VAL13-SER35 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:19280600 |
| Chain | Residue | Details |
| A | LEU5 | |
| B | PHE92 | |
| A | ASP27 | |
| A | SER49 | |
| A | ARG57 | |
| A | PHE92 | |
| B | LEU5 | |
| B | ASP27 | |
| B | SER49 | |
| B | ARG57 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19280600 |
| Chain | Residue | Details |
| A | VAL6 | |
| B | LEU62 | |
| B | GLU100 | |
| B | THR121 | |
| A | ILE14 | |
| A | GLY43 | |
| A | LEU62 | |
| A | GLU100 | |
| A | THR121 | |
| B | VAL6 | |
| B | ILE14 | |
| B | GLY43 |
