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 |