3K45
Alternate Binding Modes Observed for the E- and Z-isomers of 2,4-Diaminofuro[2,3d]pyrimidines as Ternary Complexes with NADPH and Mouse Dihydrofolate Reductase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003723 | molecular_function | RNA binding |
| A | 0003729 | molecular_function | mRNA binding |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005634 | cellular_component | nucleus |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| A | 0006730 | biological_process | one-carbon metabolic process |
| A | 0008144 | molecular_function | obsolete drug binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0031103 | biological_process | axon regeneration |
| A | 0031427 | biological_process | response to methotrexate |
| A | 0035094 | biological_process | response to nicotine |
| A | 0035999 | biological_process | tetrahydrofolate interconversion |
| A | 0046452 | biological_process | dihydrofolate metabolic process |
| A | 0046653 | biological_process | tetrahydrofolate metabolic process |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046655 | biological_process | folic acid metabolic process |
| A | 0050661 | molecular_function | NADP binding |
| A | 0051000 | biological_process | positive regulation of nitric-oxide synthase activity |
| A | 0051871 | molecular_function | dihydrofolic acid binding |
| A | 2000121 | biological_process | regulation of removal of superoxide radicals |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 39 |
| Details | BINDING SITE FOR RESIDUE NDP A 187 |
| Chain | Residue |
| A | VAL8 |
| A | ARG54 |
| A | LYS55 |
| A | THR56 |
| A | LEU75 |
| A | SER76 |
| A | ARG77 |
| A | GLU78 |
| A | LYS91 |
| A | SER92 |
| A | LEU93 |
| A | ALA9 |
| A | VAL115 |
| A | GLY116 |
| A | GLY117 |
| A | SER118 |
| A | SER119 |
| A | VAL120 |
| A | TYR121 |
| A | GLU123 |
| A | 51P188 |
| A | HOH199 |
| A | ILE16 |
| A | HOH221 |
| A | HOH230 |
| A | HOH274 |
| A | HOH292 |
| A | HOH295 |
| A | HOH334 |
| A | HOH351 |
| A | HOH352 |
| A | HOH355 |
| A | HOH364 |
| A | GLY17 |
| A | GLY20 |
| A | ASP21 |
| A | LEU22 |
| A | TRP24 |
| A | GLY53 |
| site_id | AC2 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 51P A 188 |
| Chain | Residue |
| A | ILE7 |
| A | VAL8 |
| A | ALA9 |
| A | GLU30 |
| A | PHE31 |
| A | PHE34 |
| A | THR56 |
| A | VAL115 |
| A | TYR121 |
| A | THR136 |
| A | NDP187 |
| A | HOH351 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 24 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGkngdLPWpplrnEfkyFqrmT |
| Chain | Residue | Details |
| A | GLY15-THR38 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 5 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15681865, ECO:0000269|PubMed:17019704 |
| Chain | Residue | Details |
| A | ALA9 | |
| A | GLY15 | |
| A | ARG54 | |
| A | SER76 | |
| A | GLY116 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 3 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:15681865 |
| Chain | Residue | Details |
| A | GLU30 | |
| A | ASN64 | |
| A | ARG70 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-succinyllysine; alternate => ECO:0007744|PubMed:23806337 |
| Chain | Residue | Details |
| A | LYS32 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1dhf |
| Chain | Residue | Details |
| A | LEU22 | |
| A | GLU30 |
