6VS9
Mycobacterium tuberculosis dihydrofolate reductase in complex with 3-(piperidin-1-ylmethyl)benzoic acid(fragment 11)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 | 0044281 | biological_process | small molecule metabolic process |
| 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 | 0000166 | molecular_function | nucleotide 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 | 0044281 | biological_process | small molecule metabolic process |
| 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 | 6 |
| Details | binding site for residue RK4 A 201 |
| Chain | Residue |
| A | GLN28 |
| A | PHE31 |
| A | ARG32 |
| A | VAL54 |
| A | ARG60 |
| A | NAP202 |
| site_id | AC2 |
| Number of Residues | 31 |
| Details | binding site for residue NAP A 202 |
| Chain | Residue |
| A | GLY15 |
| A | ARG16 |
| A | GLY18 |
| A | ASP19 |
| A | ILE20 |
| A | GLY43 |
| A | ARG44 |
| A | ARG45 |
| A | THR46 |
| A | LEU65 |
| A | SER66 |
| A | ARG67 |
| A | GLN68 |
| A | GLY80 |
| A | ILE94 |
| A | GLY96 |
| A | GLY97 |
| A | GLN98 |
| A | VAL99 |
| A | TYR100 |
| A | LEU102 |
| A | RK4201 |
| A | HOH315 |
| A | HOH322 |
| A | HOH327 |
| A | HOH341 |
| A | HOH346 |
| A | HOH348 |
| A | TRP6 |
| A | ALA7 |
| A | ILE14 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | binding site for residue CO A 203 |
| Chain | Residue |
| A | HIS157 |
| A | HOH326 |
| B | HIS38 |
| B | HOH304 |
| B | HOH312 |
| B | HOH321 |
| B | HOH337 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue CO A 204 |
| Chain | Residue |
| A | HIS38 |
| A | HOH309 |
| A | HOH316 |
| A | HOH338 |
| A | HOH339 |
| B | HOH368 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue PO4 A 205 |
| Chain | Residue |
| A | ARG32 |
| A | MET36 |
| A | HOH366 |
| B | ARG23 |
| B | PRO51 |
| B | HOH332 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue PO4 A 206 |
| Chain | Residue |
| A | ARG44 |
| A | ARG45 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 207 |
| Chain | Residue |
| A | ALA7 |
| A | TRP22 |
| A | ARG23 |
| A | LEU24 |
| A | ASP27 |
| A | GLN28 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | binding site for residue SO4 A 208 |
| Chain | Residue |
| A | GLU26 |
| A | ALA29 |
| A | ARG146 |
| B | ARG136 |
| B | HOH302 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue RK4 B 201 |
| Chain | Residue |
| B | PHE31 |
| B | ARG32 |
| B | VAL54 |
| B | ARG60 |
| B | NAP202 |
| site_id | AD1 |
| Number of Residues | 32 |
| Details | binding site for residue NAP B 202 |
| Chain | Residue |
| B | HOH328 |
| B | HOH335 |
| B | HOH359 |
| B | HOH361 |
| B | HOH365 |
| B | HOH372 |
| B | HOH382 |
| 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 | GLY80 |
| B | ILE94 |
| B | GLY96 |
| B | GLY97 |
| B | GLN98 |
| B | VAL99 |
| B | TYR100 |
| B | RK4201 |
| B | HOH315 |
| B | HOH320 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue PO4 B 203 |
| Chain | Residue |
| B | ARG44 |
| B | ARG45 |
| B | HOH306 |
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 |
