2NO0
C4S dCK variant of dCK in complex with gemcitabine+ADP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004136 | molecular_function | deoxyadenosine kinase activity |
| A | 0004137 | molecular_function | deoxycytidine kinase activity |
| A | 0004138 | molecular_function | deoxyguanosine kinase activity |
| A | 0005515 | molecular_function | protein binding |
| 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 | 0016740 | molecular_function | transferase 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 | 0000166 | molecular_function | nucleotide binding |
| B | 0004136 | molecular_function | deoxyadenosine kinase activity |
| B | 0004137 | molecular_function | deoxycytidine kinase activity |
| B | 0004138 | molecular_function | deoxyguanosine kinase activity |
| B | 0005515 | molecular_function | protein binding |
| 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 | 0016740 | molecular_function | transferase 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 | 18 |
| Details | BINDING SITE FOR RESIDUE ADP A 301 |
| Chain | Residue |
| A | ALA31 |
| A | ASP241 |
| A | PHE242 |
| A | HOH339 |
| A | HOH370 |
| A | HOH396 |
| A | HOH398 |
| A | HOH421 |
| B | ASP241 |
| B | PHE242 |
| A | ALA32 |
| A | GLY33 |
| A | LYS34 |
| A | SER35 |
| A | THR36 |
| A | ARG188 |
| A | ARG192 |
| A | GLU240 |
| site_id | AC2 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GEO A 302 |
| Chain | Residue |
| A | ILE30 |
| A | GLU53 |
| A | TRP58 |
| A | MET85 |
| A | TYR86 |
| A | PHE96 |
| A | GLN97 |
| A | ARG128 |
| A | ASP133 |
| A | PHE137 |
| A | GLU197 |
| A | HOH373 |
| A | HOH398 |
| A | HOH419 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE ADP B 301 |
| Chain | Residue |
| A | ASP241 |
| A | LYS243 |
| A | HOH344 |
| A | HOH421 |
| B | ALA31 |
| B | ALA32 |
| B | GLY33 |
| B | LYS34 |
| B | SER35 |
| B | THR36 |
| B | ARG188 |
| B | ARG192 |
| B | GLU240 |
| B | ASP241 |
| B | PHE242 |
| B | TYR246 |
| B | HOH395 |
| B | HOH398 |
| B | HOH404 |
| B | HOH408 |
| site_id | AC4 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE GEO B 302 |
| Chain | Residue |
| B | ILE30 |
| B | GLU53 |
| B | TRP58 |
| B | LEU82 |
| B | MET85 |
| B | TYR86 |
| B | PHE96 |
| B | GLN97 |
| B | ARG128 |
| B | ASP133 |
| B | PHE137 |
| B | GLU197 |
| B | HOH404 |
| B | HOH406 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 40 |
| Details | Binding site: {} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphothreonine; by CK1","evidences":[{"source":"PubMed","id":"20637175","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | Modified residue: {"description":"Phosphoserine","evidences":[{"source":"PubMed","id":"20637175","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18669648","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"20068231","evidenceCode":"ECO:0007744"},{"source":"PubMed","id":"23186163","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2ocp |
| Chain | Residue | Details |
| A | GLU53 | |
| A | ARG128 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 2ocp |
| Chain | Residue | Details |
| B | GLU53 | |
| B | ARG128 |
