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 | 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 |
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 | 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 |
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 |