6NNC
Structure of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and pemetrexed
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 | 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 | 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 | 35 |
| 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 | GLY96 |
| A | ALA7 |
| A | GLY97 |
| A | GLN98 |
| A | VAL99 |
| A | TYR100 |
| A | LEU102 |
| A | ALA126 |
| A | LYA203 |
| A | HOH306 |
| A | HOH318 |
| A | HOH325 |
| A | ILE14 |
| A | HOH337 |
| A | HOH338 |
| A | HOH351 |
| A | HOH360 |
| A | HOH379 |
| A | HOH399 |
| 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 | HIS38 |
| A | HOH327 |
| A | HOH345 |
| A | HOH346 |
| B | HIS157 |
| B | HOH391 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | binding site for residue LYA A 203 |
| Chain | Residue |
| A | ILE5 |
| A | TRP6 |
| A | ALA7 |
| A | ASP27 |
| A | GLN28 |
| A | PHE31 |
| A | ARG32 |
| A | LEU50 |
| A | LEU57 |
| A | ARG60 |
| A | ILE94 |
| A | TYR100 |
| A | THR113 |
| A | NDP201 |
| A | HOH324 |
| A | HOH350 |
| A | HOH362 |
| A | HOH393 |
| A | HOH401 |
| A | HOH411 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | binding site for residue SO4 A 204 |
| Chain | Residue |
| A | ARG23 |
| A | PRO51 |
| A | HOH309 |
| A | HOH367 |
| B | ARG32 |
| B | PRO58 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue SO4 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 | HOH372 |
| B | HOH382 |
| B | HOH389 |
| 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 | LYA203 |
| B | HOH321 |
| B | HOH322 |
| B | HOH331 |
| B | HOH333 |
| B | HOH358 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue CO B 202 |
| Chain | Residue |
| A | HOH383 |
| B | HIS38 |
| B | HOH309 |
| B | HOH335 |
| B | HOH344 |
| B | HOH395 |
| site_id | AC8 |
| Number of Residues | 21 |
| Details | binding site for residue LYA B 203 |
| Chain | Residue |
| B | ILE5 |
| B | TRP6 |
| B | ALA7 |
| B | ASP27 |
| B | GLN28 |
| B | ALA29 |
| B | PHE31 |
| B | ARG32 |
| B | LEU50 |
| B | VAL54 |
| B | ARG60 |
| B | ILE94 |
| B | TYR100 |
| B | NDP201 |
| B | HOH304 |
| B | HOH307 |
| B | HOH310 |
| B | HOH311 |
| B | HOH355 |
| B | HOH369 |
| B | HOH371 |
| site_id | AC9 |
| Number of Residues | 3 |
| Details | binding site for residue SO4 B 204 |
| Chain | Residue |
| B | ARG44 |
| B | ARG45 |
| B | HOH394 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue SO4 B 205 |
| Chain | Residue |
| A | ARG136 |
| A | HOH304 |
| B | ALA29 |
| B | ARG146 |
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 |
