3LG4
Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
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 | 22 |
| Details | BINDING SITE FOR RESIDUE NDP A 201 |
| Chain | Residue |
| A | VAL6 |
| A | LYS45 |
| A | THR46 |
| A | LEU62 |
| A | THR63 |
| A | SER64 |
| A | HIS77 |
| A | ILE92 |
| A | GLY94 |
| A | GLN95 |
| A | THR96 |
| A | ALA7 |
| A | GLU100 |
| A | THR121 |
| A | 52V202 |
| A | ILE14 |
| A | GLY15 |
| A | ASN18 |
| A | GLN19 |
| A | LEU20 |
| A | GLY43 |
| A | ARG44 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 52V A 202 |
| Chain | Residue |
| A | LEU5 |
| A | VAL6 |
| A | ALA7 |
| A | GLN19 |
| A | LEU20 |
| A | ASP27 |
| A | LEU28 |
| A | TYR31 |
| A | SER49 |
| A | ILE50 |
| A | ILE92 |
| A | NDP201 |
| B | THR66 |
| B | SER67 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NDP B 201 |
| 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 | ILE92 |
| B | GLY93 |
| B | GLY94 |
| B | GLN95 |
| B | THR96 |
| B | LEU97 |
| B | GLU100 |
| B | THR121 |
| B | 52V202 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 52V B 202 |
| Chain | Residue |
| B | LEU5 |
| B | VAL6 |
| B | ALA7 |
| B | LEU20 |
| B | ASP27 |
| B | LEU28 |
| B | TYR31 |
| B | SER49 |
| B | ILE50 |
| B | ILE92 |
| B | NDP201 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGfenqLPWhlpn.DlkhYkklS |
| 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 | ILE92 | |
| A | ASP27 | |
| A | SER49 | |
| A | ARG57 | |
| A | ILE92 | |
| 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 |
