5ECC
Klebsiella pneumoniae DfrA1 complexed with NADPH and 6-ethyl-5-(3-(2-methoxy-5-(pyridin-4-yl)phenyl)prop-1-yn-1-yl)pyrimidine-2,4-diamine
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| 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 | 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 | 31 |
| Details | binding site for residue NAP A 201 |
| Chain | Residue |
| A | VAL6 |
| A | GLY43 |
| A | ARG44 |
| A | LYS45 |
| A | THR46 |
| A | MET50 |
| A | VAL61 |
| A | THR62 |
| A | ARG63 |
| A | SER64 |
| A | PRO77 |
| A | ALA7 |
| A | SER78 |
| A | ILE79 |
| A | SER96 |
| A | GLY98 |
| A | GLY99 |
| A | GLU100 |
| A | ILE101 |
| A | TYR102 |
| A | 6DR202 |
| A | 6DR203 |
| A | ILE14 |
| A | CA205 |
| A | HOH326 |
| A | GLY15 |
| A | ASN16 |
| A | GLY17 |
| A | PRO18 |
| A | ASP19 |
| A | ILE20 |
| site_id | AC2 |
| Number of Residues | 15 |
| Details | binding site for residue 6DR A 202 |
| Chain | Residue |
| A | MET5 |
| A | VAL6 |
| A | ALA7 |
| A | PRO18 |
| A | ILE20 |
| A | GLU27 |
| A | GLN28 |
| A | PHE31 |
| A | SER49 |
| A | MET50 |
| A | SER96 |
| A | TYR102 |
| A | NAP201 |
| A | 6DR203 |
| A | HOH332 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | binding site for residue 6DR A 203 |
| Chain | Residue |
| A | MET5 |
| A | VAL6 |
| A | ALA7 |
| A | GLU27 |
| A | GLN28 |
| A | PHE31 |
| A | THR46 |
| A | MET50 |
| A | GLY51 |
| A | LEU53 |
| A | TYR102 |
| A | NAP201 |
| A | 6DR202 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue GOL A 204 |
| Chain | Residue |
| A | LYS88 |
| A | ASP91 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | binding site for residue CA A 205 |
| Chain | Residue |
| A | ILE79 |
| A | LYS80 |
| A | NAP201 |
| site_id | AC6 |
| Number of Residues | 37 |
| Details | binding site for residue NAP B 201 |
| Chain | Residue |
| B | HOH353 |
| B | HOH363 |
| B | VAL6 |
| B | ALA7 |
| B | ILE14 |
| B | GLY15 |
| B | GLY17 |
| B | PRO18 |
| B | ASP19 |
| B | ILE20 |
| B | GLY43 |
| B | ARG44 |
| B | LYS45 |
| B | THR46 |
| B | MET50 |
| B | VAL61 |
| B | THR62 |
| B | ARG63 |
| B | SER64 |
| B | PRO77 |
| B | SER78 |
| B | SER96 |
| B | GLY98 |
| B | GLY99 |
| B | GLU100 |
| B | ILE101 |
| B | TYR102 |
| B | GLU129 |
| B | 6DR202 |
| B | 6DR203 |
| B | CA206 |
| B | HOH308 |
| B | HOH310 |
| B | HOH312 |
| B | HOH321 |
| B | HOH325 |
| B | HOH344 |
| site_id | AC7 |
| Number of Residues | 15 |
| Details | binding site for residue 6DR B 202 |
| Chain | Residue |
| B | MET5 |
| B | VAL6 |
| B | PRO18 |
| B | ILE20 |
| B | GLU27 |
| B | GLN28 |
| B | PHE31 |
| B | SER49 |
| B | MET50 |
| B | LEU53 |
| B | SER96 |
| B | TYR102 |
| B | NAP201 |
| B | 6DR203 |
| B | HOH354 |
| site_id | AC8 |
| Number of Residues | 15 |
| Details | binding site for residue 6DR B 203 |
| Chain | Residue |
| B | MET5 |
| B | VAL6 |
| B | ALA7 |
| B | GLU27 |
| B | GLN28 |
| B | PHE31 |
| B | THR46 |
| B | MET50 |
| B | GLY51 |
| B | LEU53 |
| B | TYR58 |
| B | SER96 |
| B | TYR102 |
| B | NAP201 |
| B | 6DR202 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 204 |
| Chain | Residue |
| B | LYS45 |
| B | ASP124 |
| B | HOH325 |
| site_id | AD1 |
| Number of Residues | 2 |
| Details | binding site for residue CA B 205 |
| Chain | Residue |
| B | LYS103 |
| B | LYS103 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue CA B 206 |
| Chain | Residue |
| B | SER104 |
| B | PRO128 |
| B | GLU129 |
| B | NAP201 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGngpdIPWsakg.EqllFkaiT |
| Chain | Residue | Details |
| A | VAL13-THR35 |
