5JA3
Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta- NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-b iphenyl]-4-carboxylic acid (UCP1106)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004146 | molecular_function | dihydrofolate reductase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0006545 | biological_process | glycine biosynthetic process |
| 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 |
| A | 0070401 | molecular_function | NADP+ binding |
| B | 0004146 | molecular_function | dihydrofolate reductase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0006545 | biological_process | glycine biosynthetic process |
| 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 |
| B | 0070401 | molecular_function | NADP+ binding |
| C | 0004146 | molecular_function | dihydrofolate reductase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0006545 | biological_process | glycine biosynthetic process |
| C | 0006730 | biological_process | one-carbon metabolic process |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0046452 | biological_process | dihydrofolate metabolic process |
| C | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| C | 0046655 | biological_process | folic acid metabolic process |
| C | 0050661 | molecular_function | NADP binding |
| C | 0070401 | molecular_function | NADP+ binding |
| D | 0004146 | molecular_function | dihydrofolate reductase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0006545 | biological_process | glycine biosynthetic process |
| D | 0006730 | biological_process | one-carbon metabolic process |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0046452 | biological_process | dihydrofolate metabolic process |
| D | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| D | 0046655 | biological_process | folic acid metabolic process |
| D | 0050661 | molecular_function | NADP binding |
| D | 0070401 | molecular_function | NADP+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 26 |
| Details | binding site for residue NDP A 201 |
| Chain | Residue |
| A | TRP6 |
| A | ARG45 |
| A | THR46 |
| A | LEU65 |
| A | SER66 |
| A | ARG67 |
| A | GLN68 |
| A | GLY80 |
| A | ILE94 |
| A | GLY95 |
| A | GLY96 |
| A | ALA7 |
| A | GLY97 |
| A | GLN98 |
| A | VAL99 |
| A | TYR100 |
| A | LEU102 |
| A | ALA126 |
| A | U06202 |
| A | ILE14 |
| A | GLY15 |
| A | GLY18 |
| A | ASP19 |
| A | ILE20 |
| A | GLY43 |
| A | ARG44 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | binding site for residue U06 A 202 |
| Chain | Residue |
| A | ILE5 |
| A | TRP6 |
| A | ALA7 |
| A | ASP19 |
| A | ILE20 |
| A | ASP27 |
| A | GLN28 |
| A | PHE31 |
| A | ARG32 |
| A | SER49 |
| A | LEU50 |
| A | PRO51 |
| A | LEU57 |
| A | ARG60 |
| A | ILE94 |
| A | TYR100 |
| A | NDP201 |
| A | HOH307 |
| site_id | AC3 |
| Number of Residues | 25 |
| Details | binding site for residue NDP B 201 |
| Chain | Residue |
| B | TRP6 |
| B | ALA7 |
| B | ILE14 |
| B | GLY15 |
| B | GLY18 |
| B | ASP19 |
| B | ILE20 |
| B | GLY43 |
| B | ARG44 |
| B | ARG45 |
| B | THR46 |
| B | LEU65 |
| B | SER66 |
| B | ARG67 |
| B | GLN68 |
| B | GLY95 |
| B | GLY96 |
| B | GLY97 |
| B | GLN98 |
| B | VAL99 |
| B | TYR100 |
| B | LEU102 |
| B | ALA126 |
| B | U06202 |
| B | HOH308 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | binding site for residue U06 B 202 |
| Chain | Residue |
| B | ILE5 |
| B | TRP6 |
| B | ILE20 |
| B | ASP27 |
| B | GLN28 |
| B | PHE31 |
| B | ARG32 |
| B | SER49 |
| B | PRO51 |
| B | ILE94 |
| B | GLY95 |
| B | TYR100 |
| B | NDP201 |
| B | HOH304 |
| site_id | AC5 |
| Number of Residues | 25 |
| Details | binding site for residue NDP C 201 |
| Chain | Residue |
| C | ILE94 |
| C | GLY96 |
| C | GLY97 |
| C | GLN98 |
| C | VAL99 |
| C | TYR100 |
| C | LEU102 |
| C | U06202 |
| D | SER147 |
| C | TRP6 |
| C | ALA7 |
| C | ILE14 |
| C | GLY15 |
| C | GLY18 |
| C | ASP19 |
| C | ILE20 |
| C | GLY43 |
| C | ARG44 |
| C | ARG45 |
| C | THR46 |
| C | SER49 |
| C | LEU65 |
| C | SER66 |
| C | ARG67 |
| C | GLY80 |
| site_id | AC6 |
| Number of Residues | 15 |
| Details | binding site for residue U06 C 202 |
| Chain | Residue |
| C | ILE5 |
| C | TRP6 |
| C | ALA7 |
| C | ASP19 |
| C | ILE20 |
| C | ASP27 |
| C | GLN28 |
| C | PHE31 |
| C | ARG32 |
| C | SER49 |
| C | LEU57 |
| C | ARG60 |
| C | ILE94 |
| C | TYR100 |
| C | NDP201 |
| site_id | AC7 |
| Number of Residues | 23 |
| Details | binding site for residue NDP D 201 |
| Chain | Residue |
| D | TRP6 |
| D | ALA7 |
| D | ILE14 |
| D | GLY18 |
| D | ASP19 |
| D | ILE20 |
| D | GLY43 |
| D | ARG44 |
| D | ARG45 |
| D | THR46 |
| D | LEU65 |
| D | SER66 |
| D | ARG67 |
| D | ILE94 |
| D | GLY95 |
| D | GLY96 |
| D | GLY97 |
| D | GLN98 |
| D | VAL99 |
| D | TYR100 |
| D | LEU102 |
| D | ALA126 |
| D | U06202 |
| site_id | AC8 |
| Number of Residues | 18 |
| Details | binding site for residue U06 D 202 |
| Chain | Residue |
| D | ILE5 |
| D | TRP6 |
| D | ALA7 |
| D | ASP19 |
| D | ILE20 |
| D | ASP27 |
| D | GLN28 |
| D | PHE31 |
| D | ARG32 |
| D | SER49 |
| D | LEU50 |
| D | PRO51 |
| D | LEU57 |
| D | ARG60 |
| D | ILE94 |
| D | TYR100 |
| D | NDP201 |
| D | HOH307 |
Functional Information from PROSITE/UniProt
| site_id | PS00075 |
| Number of Residues | 23 |
| Details | DHFR_1 Dihydrofolate reductase (DHFR) domain signature. VIGrggdIPWrlpe.DqahFreiT |
| Chain | Residue | Details |
| A | VAL13-THR35 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 48 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | ILE5 | |
| A | ILE94 | |
| A | TYR100 | |
| A | THR113 | |
| B | ILE5 | |
| B | TRP6 | |
| B | ILE14 | |
| B | ASP27 | |
| B | ARG32 | |
| B | GLY43 | |
| B | ARG60 | |
| A | TRP6 | |
| B | LEU65 | |
| B | GLY80 | |
| B | ILE94 | |
| B | TYR100 | |
| B | THR113 | |
| C | ILE5 | |
| C | TRP6 | |
| C | ILE14 | |
| C | ASP27 | |
| C | ARG32 | |
| A | ILE14 | |
| C | GLY43 | |
| C | ARG60 | |
| C | LEU65 | |
| C | GLY80 | |
| C | ILE94 | |
| C | TYR100 | |
| C | THR113 | |
| D | ILE5 | |
| D | TRP6 | |
| D | ILE14 | |
| A | ASP27 | |
| D | ASP27 | |
| D | ARG32 | |
| D | GLY43 | |
| D | ARG60 | |
| D | LEU65 | |
| D | GLY80 | |
| D | ILE94 | |
| D | TYR100 | |
| D | THR113 | |
| A | ARG32 | |
| A | GLY43 | |
| A | ARG60 | |
| A | LEU65 | |
| A | GLY80 |
