3QLS
Candida albicans dihydrofolate reductase complexed with NADPH and 6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP115A)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005739 | cellular_component | mitochondrion |
| 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 | 0005739 | cellular_component | mitochondrion |
| 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 | 34 |
| Details | BINDING SITE FOR RESIDUE NDP A 193 |
| Chain | Residue |
| A | VAL10 |
| A | LYS57 |
| A | THR58 |
| A | LEU77 |
| A | SER78 |
| A | ARG79 |
| A | SER94 |
| A | ILE112 |
| A | GLY113 |
| A | GLY114 |
| A | ALA115 |
| A | ALA11 |
| A | GLU116 |
| A | ILE117 |
| A | TYR118 |
| A | GLU120 |
| A | GLU174 |
| A | 55V194 |
| A | HOH211 |
| A | HOH234 |
| A | HOH242 |
| A | HOH247 |
| A | ILE19 |
| A | HOH272 |
| A | HOH331 |
| A | HOH344 |
| A | HOH346 |
| A | HOH356 |
| A | GLY23 |
| A | LYS24 |
| A | MET25 |
| A | LYS31 |
| A | GLY55 |
| A | ARG56 |
| site_id | AC2 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NDP B 193 |
| Chain | Residue |
| B | VAL10 |
| B | ALA11 |
| B | ILE19 |
| B | GLY20 |
| B | GLY23 |
| B | LYS24 |
| B | MET25 |
| B | GLY55 |
| B | ARG56 |
| B | LYS57 |
| B | THR58 |
| B | LEU77 |
| B | SER78 |
| B | ARG79 |
| B | SER94 |
| B | SER95 |
| B | ILE96 |
| B | ILE112 |
| B | GLY113 |
| B | GLY114 |
| B | ALA115 |
| B | GLU116 |
| B | ILE117 |
| B | TYR118 |
| B | GLU120 |
| B | 55V194 |
| B | HOH199 |
| B | HOH246 |
| B | HOH261 |
| B | HOH300 |
| B | HOH301 |
| B | HOH308 |
| B | HOH311 |
| B | HOH395 |
| B | HOH397 |
| B | HOH422 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 55V A 194 |
| Chain | Residue |
| A | ILE9 |
| A | VAL10 |
| A | ALA11 |
| A | MET25 |
| A | GLU32 |
| A | PHE36 |
| A | SER61 |
| A | PRO63 |
| A | LEU69 |
| A | ILE112 |
| A | TYR118 |
| A | NDP193 |
| A | HOH311 |
| site_id | AC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE 55V B 194 |
| Chain | Residue |
| B | ILE9 |
| B | VAL10 |
| B | ALA11 |
| B | GLU32 |
| B | ILE33 |
| B | PHE36 |
| B | SER61 |
| B | ILE112 |
| B | TYR118 |
| B | NDP193 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GLY A 801 |
| Chain | Residue |
| A | ASN5 |
| A | ARG108 |
| A | VAL109 |
| A | SER128 |
| A | HIS129 |
| A | PHE167 |
| site_id | AC6 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GLY B 805 |
| Chain | Residue |
| B | ILE85 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 902 |
| Chain | Residue |
| A | HOH223 |
| B | LEU102 |
| B | ASP105 |
| B | HOH200 |
| B | HOH297 |
| B | HOH310 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL B 903 |
| Chain | Residue |
| B | HOH236 |
| site_id | AC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE GOL A 903 |
| Chain | Residue |
| A | SER94 |
| A | SER95 |
| A | SER98 |
| A | VAL172 |
| A | HOH210 |
| A | HOH238 |
| A | HOH248 |
| A | HOH349 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGykgkMPWrlrk.EiryFkdvT |
| Chain | Residue | Details |
| A | GLY18-THR40 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:11520201 |
| Chain | Residue | Details |
| B | SER78 | |
| B | GLY113 | |
| A | ALA11 | |
| A | GLY18 | |
| A | ARG56 | |
| A | SER78 | |
| A | GLY113 | |
| B | ALA11 | |
| B | GLY18 | |
| B | ARG56 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:11520201 |
| Chain | Residue | Details |
| A | TYR118 | |
| B | GLU32 | |
| B | ILE112 | |
| B | TYR118 | |
| A | GLU32 | |
| A | ILE112 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000250|UniProtKB:P0ABQ4 |
| Chain | Residue | Details |
| A | ARG72 | |
| B | ARG72 |
