3ROA
Candida glabrata dihydrofolate reductase complexed with NADPH and 6-ethyl-5-[(3R)-3-[3-methoxy-5-(morpholin-4-yl)phenyl]but-1-yn-1-yl]pyrimidine-2,4-diamine (UCP1004)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005575 | cellular_component | cellular_component |
| 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 | 0000166 | molecular_function | nucleotide binding |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0005575 | cellular_component | cellular_component |
| 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 | 28 |
| Details | BINDING SITE FOR RESIDUE NDP A 228 |
| Chain | Residue |
| A | 06V1 |
| A | ARG56 |
| A | LYS57 |
| A | THR58 |
| A | VAL77 |
| A | SER78 |
| A | ARG79 |
| A | ASN96 |
| A | SER97 |
| A | LEU98 |
| A | ILE121 |
| A | VAL10 |
| A | GLY122 |
| A | GLY123 |
| A | GLY124 |
| A | GLU125 |
| A | ILE126 |
| A | TYR127 |
| A | GLN129 |
| A | HOH245 |
| B | CL2 |
| A | ALA11 |
| A | ILE19 |
| A | GLY20 |
| A | GLY23 |
| A | ASN24 |
| A | LEU25 |
| A | GLY55 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 06V A 1 |
| Chain | Residue |
| A | ILE9 |
| A | VAL10 |
| A | ALA11 |
| A | GLU32 |
| A | MET33 |
| A | PHE36 |
| A | THR58 |
| A | SER61 |
| A | ILE62 |
| A | PHE66 |
| A | LEU69 |
| A | ILE121 |
| A | TYR127 |
| A | THR140 |
| A | NDP228 |
| A | HOH244 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL A 229 |
| Chain | Residue |
| A | ARG79 |
| B | SER97 |
| B | LEU98 |
| B | ARG99 |
| B | NDP228 |
| site_id | AC4 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP B 228 |
| Chain | Residue |
| A | CL229 |
| B | 06V1 |
| B | VAL10 |
| B | ALA11 |
| B | ILE19 |
| B | GLY20 |
| B | GLY23 |
| B | ASN24 |
| B | LEU25 |
| B | GLY55 |
| B | ARG56 |
| B | LYS57 |
| B | THR58 |
| B | VAL77 |
| B | SER78 |
| B | ARG79 |
| B | ASN96 |
| B | SER97 |
| B | LEU98 |
| B | ILE121 |
| B | GLY123 |
| B | GLY124 |
| B | GLU125 |
| B | ILE126 |
| B | TYR127 |
| B | GLN129 |
| B | HOH234 |
| site_id | AC5 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 06V B 1 |
| Chain | Residue |
| B | ILE9 |
| B | VAL10 |
| B | ALA11 |
| B | GLU32 |
| B | MET33 |
| B | PHE36 |
| B | THR58 |
| B | SER61 |
| B | ILE62 |
| B | LEU69 |
| B | ILE121 |
| B | TYR127 |
| B | THR140 |
| B | NDP228 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE CL B 2 |
| Chain | Residue |
| A | SER97 |
| A | LEU98 |
| A | ARG99 |
| A | NDP228 |
| B | ARG79 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGfqgnLPWrlak.EmkyFrevT |
| Chain | Residue | Details |
| A | GLY18-THR40 |
