3SAI
Bacuills anthracis Dihydrofolate Reductase bound to propargyl-linked TMP analog, UCP1015
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 | 0046872 | molecular_function | metal ion binding |
| A | 0050661 | molecular_function | NADP binding |
| B | 0000166 | molecular_function | nucleotide 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 | 0046872 | molecular_function | metal ion binding |
| B | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAP A 207 |
| Chain | Residue |
| A | VAL7 |
| A | LYS46 |
| A | LYS46 |
| A | ASN47 |
| A | VAL63 |
| A | THR64 |
| A | ARG65 |
| A | HIS78 |
| A | PHE96 |
| A | GLY97 |
| A | GLY98 |
| A | ALA8 |
| A | ALA99 |
| A | GLN100 |
| A | ILE101 |
| A | TYR102 |
| A | LEU104 |
| A | 9DR163 |
| A | PEG167 |
| A | HOH179 |
| A | HOH192 |
| A | HOH220 |
| A | ILE15 |
| A | HOH234 |
| A | HOH244 |
| A | HOH259 |
| A | GLY16 |
| A | ASN19 |
| A | ASN20 |
| A | LEU21 |
| A | GLY44 |
| A | ARG45 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 9DR A 163 |
| Chain | Residue |
| A | MET6 |
| A | VAL7 |
| A | ALA8 |
| A | ASN20 |
| A | GLU28 |
| A | LEU29 |
| A | VAL32 |
| A | ASN47 |
| A | ILE51 |
| A | ARG53 |
| A | LEU55 |
| A | PHE96 |
| A | TYR102 |
| A | NAP207 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE PEG A 164 |
| Chain | Residue |
| A | SER27 |
| A | TYR31 |
| A | LYS34 |
| A | GLU141 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG A 165 |
| Chain | Residue |
| A | ASN66 |
| A | GLY68 |
| A | HIS70 |
| site_id | AC5 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE NI A 166 |
| Chain | Residue |
| A | THR145 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE PEG A 167 |
| Chain | Residue |
| A | ARG65 |
| A | NAP207 |
| site_id | AC7 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP B 207 |
| Chain | Residue |
| B | VAL7 |
| B | ALA8 |
| B | ILE15 |
| B | GLY16 |
| B | ASN19 |
| B | ASN20 |
| B | LEU21 |
| B | GLY44 |
| B | ARG45 |
| B | LYS46 |
| B | LYS46 |
| B | ASN47 |
| B | VAL63 |
| B | THR64 |
| B | ARG65 |
| B | HIS78 |
| B | PHE96 |
| B | GLY97 |
| B | GLY98 |
| B | ALA99 |
| B | GLN100 |
| B | ILE101 |
| B | TYR102 |
| B | LEU104 |
| B | THR125 |
| B | 9DR163 |
| B | HOH175 |
| B | HOH179 |
| B | HOH180 |
| B | HOH204 |
| B | HOH213 |
| B | HOH218 |
| B | HOH224 |
| B | HOH244 |
| site_id | AC8 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 9DR B 163 |
| Chain | Residue |
| B | PHE96 |
| B | TYR102 |
| B | NAP207 |
| B | MET6 |
| B | VAL7 |
| B | ALA8 |
| B | ASN20 |
| B | GLU28 |
| B | LEU29 |
| B | VAL32 |
| B | ASN47 |
| B | ALA50 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE PEG B 164 |
| Chain | Residue |
| B | ASP146 |
| B | PRO150 |
| B | HOH193 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGkdnnLPWrlps.ElqyVkktT |
| Chain | Residue | Details |
| A | VAL14-THR36 |
