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 | 0031427 | biological_process | response to methotrexate |
| A | 0046452 | biological_process | dihydrofolate metabolic process |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046655 | biological_process | folic acid metabolic process |
| A | 0046677 | biological_process | response to antibiotic |
| A | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NDP A 163 |
| Chain | Residue |
| A | HOH326 |
| A | HOH373 |
| A | HOH401 |
| A | HOH439 |
| A | HOH579 |
| A | TRP5 |
| A | ALA6 |
| A | ILE13 |
| A | GLY14 |
| A | LYS15 |
| A | GLY17 |
| A | HIS18 |
| A | LEU19 |
| A | GLY42 |
| A | ARG43 |
| A | ARG44 |
| A | THR45 |
| A | LEU62 |
| A | THR63 |
| A | HIS64 |
| A | GLN65 |
| A | HIS77 |
| A | ALA97 |
| A | GLY99 |
| A | ALA100 |
| A | GLN101 |
| A | ILE102 |
| A | MTX164 |
| A | HOH208 |
| A | HOH276 |
| A | HOH279 |
| A | HOH301 |
| A | HOH302 |
| A | HOH318 |
| site_id | AC2 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE MTX A 164 |
| Chain | Residue |
| A | LEU4 |
| A | TRP5 |
| A | LEU19 |
| A | ASP26 |
| A | LEU27 |
| A | HIS28 |
| A | PHE30 |
| A | ARG31 |
| A | SER48 |
| A | PHE49 |
| A | PRO50 |
| A | ARG57 |
| A | ALA97 |
| A | THR116 |
| A | NDP163 |
| A | HOH322 |
| A | HOH329 |
| A | HOH331 |
| A | HOH559 |
| A | HOH606 |
| A | HOH621 |
| site_id | MAB |
| Number of Residues | 5 |
| Details | RESIDUES INTERACTING WITH THE P-AMINOBENZOYL OF THE METHOTREXATE INHIBITOR |
| Chain | Residue |
| A | LEU27 |
| A | PHE30 |
| A | PHE49 |
| A | PRO50 |
| A | LEU54 |
| site_id | MGL |
| Number of Residues | 6 |
| Details | RESIDUES INTERACTING WITH THE GLUTAMATE OF THE METHOTREXATE INHIBITOR |
| Chain | Residue |
| A | LEU27 |
| A | HIS28 |
| A | PHE30 |
| A | ARG31 |
| A | LEU54 |
| A | ARG57 |
| site_id | MNM |
| Number of Residues | 2 |
| Details | RESIDUES INTERACTING WITH THE N(10) METHYL OF THE METHOTREXATE INHIBITOR |
| site_id | MPT |
| Number of Residues | 14 |
| Details | RESIDUES INTERACTING WITH THE PTERIDINE of THE METHOTREXATE INHIBITOR |
| Chain | Residue |
| A | LEU4 |
| A | TRP5 |
| A | ALA6 |
| A | LEU19 |
| A | TRP21 |
| A | ASP26 |
| A | LEU27 |
| A | PHE30 |
| A | ALA97 |
| A | THR116 |
| A | NDP163 |
| A | HOH201 |
| A | HOH217 |
| A | HOH253 |
| site_id | NAR |
| Number of Residues | 9 |
| Details | RESIDUES INTERACTING WITH THE ADENINE MONONUCLEOTIDE RIBOSE OF THE NADPH COFACTOR |
| Chain | Residue |
| A | ARG43 |
| A | ARG44 |
| A | THR63 |
| A | HIS64 |
| A | GLN65 |
| A | GLN101 |
| A | ILE102 |
| A | HOH401 |
| A | GLY42 |
| site_id | NDN |
| Number of Residues | 8 |
| Details | RESIDUES INTERACTING WITH THE ADENINE BASE OF THE NADPH COFACTOR |
| Chain | Residue |
| A | LEU62 |
| A | THR63 |
| A | HIS64 |
| A | HIS77 |
| A | GLN101 |
| A | ILE102 |
| A | HOH279 |
| A | HOH318 |
| site_id | NMR |
| Number of Residues | 7 |
| Details | RESIDUES INTERACTING WITH THE NICOTINAMIDE MONONUCLEOTIDE RIBOSE OF THE NADPH COFACTOR |
| Chain | Residue |
| A | ILE13 |
| A | GLY14 |
| A | HIS18 |
| A | SER48 |
| A | GLY99 |
| A | HOH208 |
| A | HOH439 |
| site_id | NND |
| Number of Residues | 12 |
| Details | RESIDUES INTERACTING WITH THE NICOTINAMIDE BASE OF THE NADPH COFACTOR |
| Chain | Residue |
| A | TRP5 |
| A | ALA6 |
| A | ILE13 |
| A | LEU19 |
| A | TRP21 |
| A | THR45 |
| A | ALA97 |
| A | GLY98 |
| A | GLY99 |
| A | PHE103 |
| A | MTX164 |
| A | HOH439 |
| site_id | NPP |
| Number of Residues | 7 |
| Details | RESIDUES INTERACTING WITH THE PYROPHOSPHATE OF THE NADPH COFACTOR |
| Chain | Residue |
| A | ARG44 |
| A | THR45 |
| A | GLY99 |
| A | GLN101 |
| A | ILE102 |
| A | THR126 |
| A | HOH301 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. LIGkdghLPWhlpd.DlhyFraqT |
| Chain | Residue | Details |
| A | LEU12-THR34 | |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 159 |
| Details | Domain: {"description":"DHFR","evidences":[{"source":"PROSITE-ProRule","id":"PRU00660","evidenceCode":"ECO:0000255"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"6815179","evidenceCode":"ECO:0000305"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 18 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"6815179","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Site: {"description":"May be important for enzyme function"} |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dhf |
| Chain | Residue | Details |
| A | LEU19 | |
| A | ASP26 | |
| site_id | MCSA1 |
| Number of Residues | 9 |
| Details | M-CSA 112 |
| Chain | Residue | Details |
| A | LEU4 | steric role |
| A | LEU19 | enhance reactivity |
| A | TRP21 | activator, hydrogen bond donor |
| A | ASP26 | hydrogen bond acceptor, modifies pKa |
| A | LEU27 | steric locator |
| A | PHE30 | steric locator |
| A | LEU54 | steric locator |
| A | LEU94 | steric role |
| A | THR116 | electrostatic stabiliser, hydrogen bond donor |
