3ARA
Discovery of Novel Uracil Derivatives as Potent Human dUTPase Inhibitors
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 | 0046081 | biological_process | dUTP catabolic process |
| B | 0000287 | molecular_function | magnesium ion binding |
| B | 0004170 | molecular_function | dUTP diphosphatase activity |
| B | 0006226 | biological_process | dUMP biosynthetic process |
| B | 0046081 | biological_process | dUTP catabolic process |
| C | 0000287 | molecular_function | magnesium ion binding |
| C | 0004170 | molecular_function | dUTP diphosphatase activity |
| C | 0006226 | biological_process | dUMP biosynthetic process |
| C | 0046081 | biological_process | dUTP catabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE MKH A 165 |
| Chain | Residue |
| A | ALA98 |
| A | HOH195 |
| A | HOH222 |
| C | SER86 |
| C | ALA90 |
| A | GLY99 |
| A | VAL100 |
| A | TYR105 |
| A | VAL109 |
| A | GLY110 |
| A | VAL112 |
| A | GLN146 |
| A | HOH173 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE MG A 166 |
| Chain | Residue |
| A | GLU135 |
| B | GLU135 |
| B | HOH168 |
| C | GLU135 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE MKH B 165 |
| Chain | Residue |
| A | SER86 |
| B | LYS67 |
| B | ALA98 |
| B | GLY99 |
| B | VAL100 |
| B | TYR105 |
| B | VAL109 |
| B | GLY110 |
| B | VAL112 |
| B | HOH172 |
| B | HOH206 |
| B | HOH271 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE MG B 166 |
| Chain | Residue |
| A | HIS34 |
| B | HIS34 |
| C | HIS34 |
| site_id | AC5 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE MKH C 165 |
| Chain | Residue |
| B | SER86 |
| B | ALA90 |
| C | VAL65 |
| C | GLY99 |
| C | VAL100 |
| C | TYR105 |
| C | VAL109 |
| C | GLY110 |
| C | VAL112 |
| C | HOH167 |
| C | HOH293 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 9 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8805593, ECO:0000305|PubMed:17880943, ECO:0007744|PDB:1Q5H, ECO:0007744|PDB:2HQU, ECO:0007744|PDB:3EHW |
| Chain | Residue | Details |
| A | ARG85 | |
| A | ARG153 | |
| A | PHE158 | |
| B | ARG85 | |
| B | ARG153 | |
| B | PHE158 | |
| C | ARG85 | |
| C | ARG153 | |
| C | PHE158 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:8805593, ECO:0000305|PubMed:17880943, ECO:0007744|PDB:1Q5H, ECO:0007744|PDB:2HQU, ECO:0007744|PDB:3ARA, ECO:0007744|PDB:3ARN, ECO:0007744|PDB:3EHW |
| Chain | Residue | Details |
| A | GLY99 | |
| A | GLY110 | |
| B | GLY99 | |
| B | GLY110 | |
| C | GLY99 | |
| C | GLY110 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 3 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163, ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | LEU88 | |
| B | LEU88 | |
| C | LEU88 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 3 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER11 | |
| B | SER11 | |
| C | SER11 |
