6VSF
Mycobacterium tuberculosis dihydrofolate reductase in complex with 4-(3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-4-oxobutanoic acid(fragment 16)
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 | 7 |
| Details | binding site for residue RKY A 201 |
| Chain | Residue |
| A | PHE31 |
| A | ARG32 |
| A | LEU50 |
| A | LEU57 |
| A | ARG60 |
| A | NAP203 |
| A | HOH340 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | binding site for residue CO A 202 |
| Chain | Residue |
| A | HOH343 |
| A | HOH344 |
| B | HIS157 |
| B | HOH381 |
| A | HIS38 |
| A | HOH322 |
| site_id | AC3 |
| Number of Residues | 36 |
| Details | binding site for residue NAP A 203 |
| Chain | Residue |
| A | TRP6 |
| A | ALA7 |
| A | ILE14 |
| 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 | RKY201 |
| A | HOH316 |
| A | HOH330 |
| A | HOH346 |
| A | HOH355 |
| A | HOH365 |
| A | HOH366 |
| A | HOH394 |
| A | HOH405 |
| A | HOH407 |
| A | HOH409 |
| A | HOH417 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 204 |
| Chain | Residue |
| A | ALA7 |
| A | TRP22 |
| A | ARG23 |
| A | LEU24 |
| A | ASP27 |
| A | GLN28 |
| A | HOH334 |
| 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 | 8 |
| Details | binding site for residue RKY B 202 |
| Chain | Residue |
| B | ASP19 |
| B | ILE20 |
| B | GLN28 |
| B | SER49 |
| B | PRO51 |
| B | RKY201 |
| B | GOL205 |
| B | HOH337 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue CO B 203 |
| Chain | Residue |
| A | HOH384 |
| B | HIS38 |
| B | HOH319 |
| B | HOH324 |
| B | HOH338 |
| site_id | AC8 |
| Number of Residues | 34 |
| Details | binding site for residue NAP B 204 |
| Chain | Residue |
| B | HOH345 |
| B | HOH353 |
| B | HOH364 |
| B | HOH370 |
| B | HOH377 |
| B | HOH384 |
| 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 | RKY201 |
| B | HOH328 |
| B | HOH335 |
| B | HOH337 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | binding site for residue PO4 B 206 |
| Chain | Residue |
| B | ARG44 |
| B | ARG45 |
| B | HOH302 |
| B | HOH330 |
| site_id | AD1 |
| Number of Residues | 12 |
| Details | binding site for residues RKY B 201 and GOL B 205 |
| Chain | Residue |
| B | ILE20 |
| B | TRP22 |
| B | LEU24 |
| B | ASP27 |
| B | GLN28 |
| B | PHE31 |
| B | ARG32 |
| B | LEU50 |
| B | ARG60 |
| B | ILE94 |
| B | RKY202 |
| B | NAP204 |
| site_id | AD2 |
| Number of Residues | 13 |
| Details | binding site for Di-peptide PO4 B 207 and ARG B 32 |
| Chain | Residue |
| A | ARG23 |
| A | PRO51 |
| A | HOH452 |
| B | GLN28 |
| B | ALA29 |
| B | HIS30 |
| B | PHE31 |
| B | GLU33 |
| B | ILE34 |
| B | THR35 |
| B | MET36 |
| B | PRO58 |
| B | RKY201 |
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 | 50 |
| Details | Binding site: {} |
| Chain | Residue | Details |
