6DAV
Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000900 | molecular_function | mRNA regulatory element binding translation repressor activity |
| A | 0003723 | molecular_function | RNA binding |
| A | 0003729 | molecular_function | mRNA binding |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005542 | molecular_function | folic acid binding |
| 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 | 0017148 | biological_process | negative regulation of translation |
| A | 0031103 | biological_process | axon regeneration |
| A | 0031427 | biological_process | response to methotrexate |
| 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 | 0070402 | molecular_function | NADPH binding |
| A | 1990825 | molecular_function | sequence-specific mRNA binding |
| A | 2000121 | biological_process | regulation of removal of superoxide radicals |
| B | 0000900 | molecular_function | mRNA regulatory element binding translation repressor activity |
| B | 0003723 | molecular_function | RNA binding |
| B | 0003729 | molecular_function | mRNA binding |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0005542 | molecular_function | folic acid binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006729 | biological_process | tetrahydrobiopterin biosynthetic process |
| B | 0006730 | biological_process | one-carbon metabolic process |
| B | 0008144 | molecular_function | obsolete drug binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0017148 | biological_process | negative regulation of translation |
| B | 0031103 | biological_process | axon regeneration |
| B | 0031427 | biological_process | response to methotrexate |
| B | 0046452 | biological_process | dihydrofolate metabolic process |
| B | 0046653 | biological_process | tetrahydrofolate metabolic process |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046655 | biological_process | folic acid metabolic process |
| B | 0050661 | molecular_function | NADP binding |
| B | 0051000 | biological_process | positive regulation of nitric-oxide synthase activity |
| B | 0070402 | molecular_function | NADPH binding |
| B | 1990825 | molecular_function | sequence-specific mRNA binding |
| B | 2000121 | biological_process | regulation of removal of superoxide radicals |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 36 |
| Details | binding site for residue NAP A 201 |
| Chain | Residue |
| A | VAL9 |
| A | LYS56 |
| A | THR57 |
| A | SER60 |
| A | LEU76 |
| A | SER77 |
| A | ARG78 |
| A | GLU79 |
| A | ARG92 |
| A | SER93 |
| A | VAL116 |
| A | ALA10 |
| A | GLY118 |
| A | SER119 |
| A | SER120 |
| A | VAL121 |
| A | TYR122 |
| A | GLU124 |
| A | THR147 |
| A | G3V202 |
| A | HOH307 |
| A | HOH316 |
| A | ILE17 |
| A | HOH319 |
| A | HOH325 |
| A | HOH337 |
| A | HOH343 |
| A | HOH347 |
| A | HOH357 |
| A | HOH364 |
| A | GLY18 |
| A | GLY21 |
| A | ASP22 |
| A | LEU23 |
| A | GLY54 |
| A | LYS55 |
| site_id | AC2 |
| Number of Residues | 19 |
| Details | binding site for residue G3V A 202 |
| Chain | Residue |
| A | ILE8 |
| A | VAL9 |
| A | ALA10 |
| A | LEU23 |
| A | GLU31 |
| A | PHE32 |
| A | PHE35 |
| A | GLN36 |
| A | SER60 |
| A | ILE61 |
| A | ASN65 |
| A | LEU68 |
| A | ARG71 |
| A | VAL116 |
| A | THR137 |
| A | NAP201 |
| A | HOH338 |
| A | HOH346 |
| A | HOH390 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 203 |
| Chain | Residue |
| A | LEU160 |
| A | VAL166 |
| A | SER168 |
| A | PHE180 |
| A | GLU181 |
| A | VAL182 |
| site_id | AC4 |
| Number of Residues | 34 |
| Details | binding site for residue NAP B 201 |
| Chain | Residue |
| B | VAL9 |
| B | ALA10 |
| B | ILE17 |
| B | GLY18 |
| B | GLY21 |
| B | ASP22 |
| B | LEU23 |
| B | GLY54 |
| B | LYS55 |
| B | LYS56 |
| B | THR57 |
| B | SER60 |
| B | LEU76 |
| B | SER77 |
| B | ARG78 |
| B | GLU79 |
| B | ARG92 |
| B | SER93 |
| B | VAL116 |
| B | GLY118 |
| B | SER119 |
| B | SER120 |
| B | VAL121 |
| B | TYR122 |
| B | GLU124 |
| B | THR147 |
| B | G3V202 |
| B | HOH309 |
| B | HOH318 |
| B | HOH322 |
| B | HOH328 |
| B | HOH349 |
| B | HOH357 |
| B | HOH382 |
| site_id | AC5 |
| Number of Residues | 17 |
| Details | binding site for residue G3V B 202 |
| Chain | Residue |
| B | GLU31 |
| B | PHE32 |
| B | PHE35 |
| B | GLN36 |
| B | SER60 |
| B | ASN65 |
| B | LEU68 |
| B | ARG71 |
| B | VAL116 |
| B | NAP201 |
| B | HOH351 |
| B | HOH388 |
| B | HOH408 |
| B | ILE8 |
| B | VAL9 |
| B | ALA10 |
| B | LEU23 |
| site_id | AC6 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 203 |
| Chain | Residue |
| B | LEU160 |
| B | VAL166 |
| B | PHE180 |
| B | GLU181 |
| B | VAL182 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | binding site for residue EDO B 204 |
| Chain | Residue |
| B | LEU80 |
| B | LYS81 |
| B | GLU82 |
| B | PRO83 |
| B | PRO84 |
| B | HOH308 |
| B | HOH383 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 24 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. GIGkngdLPWpplrnEfryFqrmT |
| Chain | Residue | Details |
| A | GLY16-THR39 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 10 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:15039552, ECO:0000269|PubMed:16222560, ECO:0000269|PubMed:19478082 |
| Chain | Residue | Details |
| A | ALA10 | |
| B | GLY117 | |
| A | GLY16 | |
| A | LYS55 | |
| A | SER77 | |
| A | GLY117 | |
| B | ALA10 | |
| B | GLY16 | |
| B | LYS55 | |
| B | SER77 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000305|PubMed:2248959 |
| Chain | Residue | Details |
| A | GLU31 | |
| A | ASN65 | |
| A | ARG71 | |
| B | GLU31 | |
| B | ASN65 | |
| B | ARG71 |
