3H2M
Structural Studies of Pterin-Based Inhibitors of Dihydropteroate Synthase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004156 | molecular_function | dihydropteroate synthase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| A | 0016740 | molecular_function | transferase activity |
| A | 0042558 | biological_process | pteridine-containing compound metabolic process |
| A | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| A | 0046656 | biological_process | folic acid biosynthetic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0004156 | molecular_function | dihydropteroate synthase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0009396 | biological_process | folic acid-containing compound biosynthetic process |
| B | 0016740 | molecular_function | transferase activity |
| B | 0042558 | biological_process | pteridine-containing compound metabolic process |
| B | 0046654 | biological_process | tetrahydrofolate biosynthetic process |
| B | 0046656 | biological_process | folic acid biosynthetic process |
| B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE B61 A 901 |
| Chain | Residue |
| A | ASP101 |
| A | SO4279 |
| A | HOH315 |
| A | HOH319 |
| A | ASN120 |
| A | ILE122 |
| A | MET145 |
| A | ASP184 |
| A | PHE189 |
| A | GLY216 |
| A | LYS220 |
| A | ARG254 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 278 |
| Chain | Residue |
| A | LYS50 |
| A | ARG53 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 279 |
| Chain | Residue |
| A | ILE25 |
| A | SER66 |
| A | ARG254 |
| A | HIS256 |
| A | B61901 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 280 |
| Chain | Residue |
| A | SER221 |
| A | ARG234 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 A 281 |
| Chain | Residue |
| A | ARG219 |
| A | HOH339 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE B61 B 902 |
| Chain | Residue |
| B | ASP101 |
| B | ASN120 |
| B | ILE122 |
| B | MET145 |
| B | ASP184 |
| B | PHE189 |
| B | LEU214 |
| B | GLY216 |
| B | LYS220 |
| B | ARG254 |
| B | SO4281 |
| B | HOH320 |
| B | HOH324 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 278 |
| Chain | Residue |
| B | LYS50 |
| B | ARG53 |
| site_id | AC8 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 279 |
| Chain | Residue |
| B | ARG219 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 280 |
| Chain | Residue |
| B | ARG201 |
| B | ASN202 |
| site_id | BC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 281 |
| Chain | Residue |
| B | ARG254 |
| B | HIS256 |
| B | B61902 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 282 |
| Chain | Residue |
| B | LEU229 |
| B | ARG263 |
| B | HOH293 |
| site_id | BC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 283 |
| Chain | Residue |
| B | SER221 |
| B | ARG234 |
Functional Information from PROSITE/UniProt
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1aj0 |
| Chain | Residue | Details |
| A | ARG254 | |
| A | ASN27 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1aj0 |
| Chain | Residue | Details |
| B | ARG254 | |
| B | ASN27 |
