4JLJ
Human dCK C4S-S74E mutant in complex with UDP and the F2.1.1 inhibitor (2-[({2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004136 | molecular_function | deoxyadenosine kinase activity |
| A | 0004137 | molecular_function | deoxycytidine kinase activity |
| A | 0004138 | molecular_function | deoxyguanosine kinase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005634 | cellular_component | nucleus |
| A | 0005654 | cellular_component | nucleoplasm |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005739 | cellular_component | mitochondrion |
| A | 0005829 | cellular_component | cytosol |
| A | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| A | 0006220 | biological_process | pyrimidine nucleotide metabolic process |
| A | 0008144 | molecular_function | obsolete drug binding |
| A | 0009224 | biological_process | CMP biosynthetic process |
| A | 0016301 | molecular_function | kinase activity |
| A | 0019136 | molecular_function | deoxynucleoside kinase activity |
| A | 0042803 | molecular_function | protein homodimerization activity |
| A | 0043771 | molecular_function | cytidine kinase activity |
| A | 0106383 | biological_process | dAMP salvage |
| A | 1901135 | biological_process | carbohydrate derivative metabolic process |
| A | 1901293 | biological_process | nucleoside phosphate biosynthetic process |
| B | 0004136 | molecular_function | deoxyadenosine kinase activity |
| B | 0004137 | molecular_function | deoxycytidine kinase activity |
| B | 0004138 | molecular_function | deoxyguanosine kinase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005634 | cellular_component | nucleus |
| B | 0005654 | cellular_component | nucleoplasm |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005739 | cellular_component | mitochondrion |
| B | 0005829 | cellular_component | cytosol |
| B | 0006139 | biological_process | nucleobase-containing compound metabolic process |
| B | 0006220 | biological_process | pyrimidine nucleotide metabolic process |
| B | 0008144 | molecular_function | obsolete drug binding |
| B | 0009224 | biological_process | CMP biosynthetic process |
| B | 0016301 | molecular_function | kinase activity |
| B | 0019136 | molecular_function | deoxynucleoside kinase activity |
| B | 0042803 | molecular_function | protein homodimerization activity |
| B | 0043771 | molecular_function | cytidine kinase activity |
| B | 0106383 | biological_process | dAMP salvage |
| B | 1901135 | biological_process | carbohydrate derivative metabolic process |
| B | 1901293 | biological_process | nucleoside phosphate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 1NM A 301 |
| Chain | Residue |
| A | GLU53 |
| A | SER144 |
| A | TYR204 |
| A | 1NM302 |
| A | VAL55 |
| A | TYR86 |
| A | PHE96 |
| A | GLN97 |
| A | ARG128 |
| A | ASP133 |
| A | PHE137 |
| A | ASN140 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 1NM A 302 |
| Chain | Residue |
| A | SER59 |
| A | LEU82 |
| A | TYR86 |
| A | GLU197 |
| A | GLY199 |
| A | ILE200 |
| A | PRO201 |
| A | TYR204 |
| A | 1NM301 |
| site_id | AC3 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE UDP A 303 |
| Chain | Residue |
| A | ALA31 |
| A | ALA32 |
| A | GLY33 |
| A | LYS34 |
| A | SER35 |
| A | THR36 |
| A | ARG188 |
| A | ARG192 |
| A | ASP241 |
| A | PHE242 |
| A | LYS243 |
| A | HOH409 |
| A | HOH443 |
| site_id | AC4 |
| Number of Residues | 11 |
| Details | BINDING SITE FOR RESIDUE 1NM B 301 |
| Chain | Residue |
| B | GLU53 |
| B | LEU82 |
| B | PRO89 |
| B | PHE96 |
| B | GLN97 |
| B | ARG128 |
| B | ASP133 |
| B | PHE137 |
| B | ASN140 |
| B | SER144 |
| B | 1NM302 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE 1NM B 302 |
| Chain | Residue |
| B | SER59 |
| B | LEU82 |
| B | TYR86 |
| B | GLU196 |
| B | GLU197 |
| B | ILE200 |
| B | PRO201 |
| B | TYR204 |
| B | 1NM301 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE UDP B 303 |
| Chain | Residue |
| B | ALA31 |
| B | ALA32 |
| B | GLY33 |
| B | LYS34 |
| B | SER35 |
| B | THR36 |
| B | ARG188 |
| B | LEU191 |
| B | ARG192 |
| B | ASP241 |
| B | PHE242 |
| B | LYS243 |
| B | HOH427 |
| B | HOH454 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255 |
| Chain | Residue | Details |
| A | GLU127 | |
| B | GLU127 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 18 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | TYR86 | |
| A | GLN97 | |
| A | ARG128 | |
| A | ASP133 | |
| A | ARG188 | |
| A | GLU197 | |
| A | GLU240 | |
| B | GLY28 | |
| B | GLU53 | |
| B | TYR86 | |
| B | GLN97 | |
| B | ARG128 | |
| B | ASP133 | |
| B | ARG188 | |
| B | GLU197 | |
| B | GLU240 | |
| A | GLY28 | |
| A | GLU53 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | MOD_RES: Phosphoserine; by CK1 => ECO:0000305|PubMed:20637175 |
| Chain | Residue | Details |
| A | SER11 | |
| A | SER15 | |
| B | SER11 | |
| B | SER15 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphothreonine; by CK1 => ECO:0000305|PubMed:20637175 |
| Chain | Residue | Details |
| A | THR72 | |
| B | THR72 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | MOD_RES: Phosphoserine => ECO:0000269|PubMed:20637175, ECO:0007744|PubMed:18669648, ECO:0007744|PubMed:20068231, ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | GLU74 | |
| B | GLU74 |
