3T64
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 | 15 |
Details | BINDING SITE FOR RESIDUE DU3 A 201 |
Chain | Residue |
A | PHE46 |
A | ALA119 |
A | HOH343 |
A | HOH369 |
B | SER92 |
B | SER95 |
B | LYS96 |
A | LEU88 |
A | ASN103 |
A | GLY106 |
A | LEU107 |
A | ILE108 |
A | TYR112 |
A | ILE116 |
A | ILE117 |
site_id | AC2 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE SO4 A 202 |
Chain | Residue |
A | ARG91 |
A | SER92 |
A | GLN138 |
A | HOH333 |
A | HOH379 |
C | DU3201 |
C | HOH305 |
C | HOH344 |
site_id | AC3 |
Number of Residues | 15 |
Details | BINDING SITE FOR RESIDUE DU3 B 201 |
Chain | Residue |
B | PHE46 |
B | LEU88 |
B | ASN103 |
B | GLY106 |
B | LEU107 |
B | ILE108 |
B | TYR112 |
B | ILE116 |
B | ILE117 |
B | ALA119 |
B | HOH335 |
B | HOH365 |
C | SER92 |
C | SO4202 |
C | HOH355 |
site_id | AC4 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE SO4 B 202 |
Chain | Residue |
A | HOH369 |
B | ARG91 |
B | SER92 |
B | GLN138 |
B | HOH305 |
B | HOH311 |
B | HOH312 |
site_id | AC5 |
Number of Residues | 14 |
Details | BINDING SITE FOR RESIDUE DU3 C 201 |
Chain | Residue |
A | SER92 |
A | SO4202 |
C | LEU88 |
C | ASN103 |
C | GLY106 |
C | LEU107 |
C | TYR112 |
C | ILE116 |
C | ILE117 |
C | ALA119 |
C | HOH330 |
C | HOH345 |
C | HOH348 |
C | HOH382 |
site_id | AC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE SO4 C 202 |
Chain | Residue |
B | DU3201 |
C | SER92 |
C | GLN138 |
C | HOH312 |
C | HOH314 |
C | HOH355 |
site_id | AC7 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE SO4 C 203 |
Chain | Residue |
C | GLY111 |
C | TYR112 |
C | ARG113 |
C | ARG160 |