6NNI
Structure of closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pyrimethamine
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 | 6 |
| Details | binding site for residue CO A 201 |
| Chain | Residue |
| A | HIS38 |
| A | HOH334 |
| A | HOH360 |
| A | HOH382 |
| B | HIS157 |
| B | HOH392 |
| site_id | AC2 |
| Number of Residues | 32 |
| Details | binding site for residue NDP 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 | GLY95 |
| A | GLY96 |
| A | GLY97 |
| A | GLN98 |
| A | VAL99 |
| A | TYR100 |
| A | CP6203 |
| A | HOH326 |
| A | HOH329 |
| A | HOH341 |
| A | HOH347 |
| A | HOH352 |
| A | HOH357 |
| A | HOH396 |
| A | TRP6 |
| A | ALA7 |
| A | ILE14 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | binding site for residue CP6 A 203 |
| Chain | Residue |
| A | ILE5 |
| A | TRP6 |
| A | ALA7 |
| A | ASP27 |
| A | GLN28 |
| A | PHE31 |
| A | THR46 |
| A | LEU50 |
| A | ILE94 |
| A | TYR100 |
| A | THR113 |
| A | NDP202 |
| A | MES204 |
| A | HOH384 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | binding site for residue MES A 204 |
| Chain | Residue |
| A | GLN28 |
| A | PHE31 |
| A | ARG32 |
| A | LEU57 |
| A | ARG60 |
| A | CP6203 |
| A | HOH308 |
| A | HOH420 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 A 205 |
| Chain | Residue |
| A | ARG136 |
| B | GLU26 |
| B | ALA29 |
| B | ARG146 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 A 206 |
| Chain | Residue |
| A | PRO51 |
| A | ALA52 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 A 207 |
| Chain | Residue |
| A | ARG44 |
| A | ARG45 |
| A | HOH312 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue CO B 201 |
| Chain | Residue |
| A | HOH387 |
| B | HIS38 |
| B | HOH309 |
| B | HOH310 |
| B | HOH353 |
| B | HOH355 |
| site_id | AC9 |
| Number of Residues | 34 |
| Details | binding site for residue NDP B 202 |
| Chain | Residue |
| B | LEU102 |
| B | ALA126 |
| B | CP6203 |
| B | HOH322 |
| B | HOH329 |
| B | HOH339 |
| B | HOH345 |
| B | HOH347 |
| B | HOH358 |
| B | HOH363 |
| 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 | GLY95 |
| B | GLY96 |
| B | GLY97 |
| B | GLN98 |
| B | VAL99 |
| B | TYR100 |
| site_id | AD1 |
| Number of Residues | 13 |
| Details | binding site for residue CP6 B 203 |
| Chain | Residue |
| B | ILE5 |
| B | TRP6 |
| B | ALA7 |
| B | ILE20 |
| B | ASP27 |
| B | PHE31 |
| B | THR46 |
| B | LEU50 |
| B | ILE94 |
| B | TYR100 |
| B | NDP202 |
| B | MES204 |
| B | HOH373 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue MES B 204 |
| Chain | Residue |
| B | GLN28 |
| B | PHE31 |
| B | ARG32 |
| B | ARG60 |
| B | CP6203 |
| B | HOH303 |
| site_id | AD3 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 B 205 |
| Chain | Residue |
| B | ARG44 |
| B | ARG45 |
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 | TYR100 | |
| A | THR113 | |
| B | ILE5 | |
| B | TRP6 | |
| B | ILE14 | |
| B | ASP27 | |
| B | ARG32 | |
| B | GLY43 | |
| B | ARG60 | |
| B | LEU65 | |
| B | GLY80 | |
| B | ILE94 | |
| B | TYR100 | |
| B | THR113 | |
| A | ILE5 | |
| A | TRP6 | |
| A | ILE14 | |
| A | ASP27 | |
| A | ARG32 | |
| A | GLY43 | |
| A | ARG60 | |
| A | LEU65 | |
| A | GLY80 | |
| A | ILE94 |
