3T70
5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000287 | molecular_function | magnesium ion binding |
| A | 0004170 | molecular_function | dUTP diphosphatase activity |
| A | 0006226 | biological_process | dUMP biosynthetic process |
| A | 0006260 | biological_process | DNA replication |
| A | 0006399 | biological_process | tRNA metabolic process |
| A | 0009117 | biological_process | nucleotide metabolic process |
| A | 0016787 | molecular_function | hydrolase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0046081 | biological_process | dUTP catabolic process |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004170 | molecular_function | dUTP diphosphatase activity |
| B | 0006226 | biological_process | dUMP biosynthetic process |
| B | 0006260 | biological_process | DNA replication |
| B | 0006399 | biological_process | tRNA metabolic process |
| B | 0009117 | biological_process | nucleotide metabolic process |
| B | 0016787 | molecular_function | hydrolase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0046081 | biological_process | dUTP catabolic process |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004170 | molecular_function | dUTP diphosphatase activity |
| C | 0006226 | biological_process | dUMP biosynthetic process |
| C | 0006260 | biological_process | DNA replication |
| C | 0006399 | biological_process | tRNA metabolic process |
| C | 0009117 | biological_process | nucleotide metabolic process |
| C | 0016787 | molecular_function | hydrolase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0046081 | biological_process | dUTP catabolic process |
| C | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE DU4 A 400 |
| Chain | Residue |
| A | PHE46 |
| A | HOH395 |
| B | SER92 |
| B | SER95 |
| B | LYS96 |
| B | HOH253 |
| A | LEU88 |
| A | ASN103 |
| A | GLY106 |
| A | ILE108 |
| A | TYR112 |
| A | ILE117 |
| A | ALA119 |
| A | HOH237 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 182 |
| Chain | Residue |
| A | ARG91 |
| A | SER92 |
| A | GLN138 |
| A | HOH227 |
| A | HOH294 |
| C | DU4400 |
| C | HOH402 |
| C | HOH506 |
| C | HOH544 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE DU4 B 400 |
| Chain | Residue |
| B | PHE46 |
| B | LEU88 |
| B | ASN103 |
| B | GLY106 |
| B | LEU107 |
| B | ILE108 |
| B | TYR112 |
| B | ILE116 |
| B | ILE117 |
| B | ALA119 |
| B | HOH236 |
| C | SER92 |
| C | SO4182 |
| C | HOH222 |
| site_id | AC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 B 182 |
| Chain | Residue |
| A | HOH382 |
| B | ARG91 |
| B | SER92 |
| B | GLN138 |
| B | HOH193 |
| B | HOH194 |
| B | HOH253 |
| B | HOH377 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 183 |
| Chain | Residue |
| A | ASN61 |
| A | HOH245 |
| B | GLN126 |
| B | GLU127 |
| B | HOH204 |
| B | HOH428 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 184 |
| Chain | Residue |
| B | LYS132 |
| B | ASN133 |
| site_id | AC7 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE DU4 C 400 |
| Chain | Residue |
| A | SER92 |
| A | SO4182 |
| C | LEU88 |
| C | ASN103 |
| C | GLY106 |
| C | LEU107 |
| C | TYR112 |
| C | ILE116 |
| C | ILE117 |
| C | ALA119 |
| C | HOH278 |
| C | HOH402 |
| C | HOH530 |
| C | HOH545 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 C 182 |
| Chain | Residue |
| B | HOH359 |
| B | DU4400 |
| C | ARG91 |
| C | SER92 |
| C | GLN138 |
| C | HOH222 |
| C | HOH268 |
| C | HOH512 |
| C | HOH514 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 C 183 |
| Chain | Residue |
| C | GLY111 |
| C | TYR112 |
| C | ARG113 |
| C | ARG160 |






