6VS6
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(furan-2-yl)-1-methyl-1H-pyrazole-5-carboxylic acid (fragment 2)
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 | 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 | 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 32 |
| Details | binding site for residue NDP A 201 |
| Chain | Residue |
| A | TRP6 |
| A | ARG44 |
| A | ARG45 |
| A | THR46 |
| A | LEU65 |
| A | SER66 |
| A | ARG67 |
| A | GLN68 |
| A | GLY80 |
| A | ILE94 |
| A | GLY95 |
| A | ALA7 |
| A | GLY96 |
| A | GLY97 |
| A | GLN98 |
| A | VAL99 |
| A | TYR100 |
| A | LEU102 |
| A | HOH306 |
| A | HOH329 |
| A | HOH333 |
| A | HOH334 |
| A | ILE14 |
| A | HOH335 |
| A | HOH343 |
| A | HOH348 |
| A | GLY15 |
| A | ARG16 |
| A | GLY18 |
| A | ASP19 |
| A | ILE20 |
| A | GLY43 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CO A 202 |
| Chain | Residue |
| A | HIS157 |
| B | HIS38 |
| B | HOH313 |
| B | HOH333 |
| B | HOH372 |
| B | HOH373 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue CO A 203 |
| Chain | Residue |
| A | HIS38 |
| A | HOH327 |
| A | HOH328 |
| A | HOH340 |
| B | HOH351 |
| B | HOH388 |
| B | HOH398 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue RKV A 204 |
| Chain | Residue |
| A | ASP19 |
| A | ILE20 |
| A | ARG23 |
| A | GLN28 |
| A | PHE31 |
| A | HOH306 |
| A | HOH372 |
| A | HOH392 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 A 205 |
| Chain | Residue |
| A | ARG44 |
| A | ARG45 |
| site_id | AC6 |
| Number of Residues | 33 |
| Details | binding site for residue NDP B 201 |
| Chain | Residue |
| B | TRP6 |
| B | ALA7 |
| B | ILE14 |
| B | GLY15 |
| B | ARG16 |
| B | GLY18 |
| B | ASP19 |
| B | ILE20 |
| B | GLY43 |
| B | ARG44 |
| B | ARG45 |
| B | THR46 |
| B | LEU65 |
| B | SER66 |
| B | ARG67 |
| B | GLN68 |
| B | GLY80 |
| B | ILE94 |
| B | GLY96 |
| B | GLY97 |
| B | GLN98 |
| B | VAL99 |
| B | TYR100 |
| B | LEU102 |
| B | ALA126 |
| B | HOH308 |
| B | HOH339 |
| B | HOH346 |
| B | HOH350 |
| B | HOH354 |
| B | HOH370 |
| B | HOH376 |
| B | HOH379 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue RKV B 202 |
| Chain | Residue |
| B | GLN28 |
| B | ARG32 |
| B | VAL54 |
| B | PRO58 |
| B | ARG60 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 B 203 |
| Chain | Residue |
| A | ARG32 |
| A | PRO58 |
| B | ARG23 |
| B | PRO51 |
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 | 24 |
| 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 | |
| A | ILE14 | |
| A | ASP27 | |
| A | ARG32 | |
| A | GLY43 | |
| A | ARG60 | |
| A | LEU65 | |
| A | GLY80 |
