Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T98089 | Target Info | |||
| Target Name | Deoxycytidine kinase (DCK) | ||||
| Synonyms | dCK | ||||
| Target Type | Literature-reported Target | ||||
| Gene Name | DCK | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Deoxycytidine | Ligand Info | |||
| Canonical SMILES | C1C(C(OC1N2C=CC(=NC2=O)N)CO)O | ||||
| InChI | 1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1 | ||||
| InChIKey | CKTSBUTUHBMZGZ-SHYZEUOFSA-N | ||||
| PubChem Compound ID | 13711 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 1P60 Structure of human dCK complexed with 2'-Deoxycytidine and ADP, Space group C 2 2 21 | ||||||
| Method | X-ray diffraction | Resolution | 1.96 Å | Mutation | No | [1] |
| PDB Sequence |
TRIKKISIEG
28 NIAAGKSTFV38 NILKQLCEDW48 EVVPEPVARW58 CNVQSTQDEF68 EELTMSQKNG 78 GNVLQMMYEK88 PERWSFTFQT98 YACLSRIRAQ108 LASLNGKLKD118 AEKPVLFFER 128 SVYSDRYIFA138 SNLYESECMN148 ETEWTIYQDW158 HDWMNNQFGQ168 SLELDGIIYL 178 QATPETCLHR188 IYLRGRNEEQ198 GIPLEYLEKL208 HYKHESWLLH218 RTLKTNFDYL 228 QEVPILTLDV238 NEDFKDKYES248 LVEKVKEFLS258 TL
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| PDB ID: 1P61 Structure of human dCK complexed with 2'-Deoxycytidine and ADP, P 43 21 2 space group | ||||||
| Method | X-ray diffraction | Resolution | 2.21 Å | Mutation | No | [1] |
| PDB Sequence |
RIKKISIEGN
29 IAAGKSTFVN39 ILKQLCEDWE49 VVPEPVARWC59 NVQSTNGGNV81 LQMMYEKPER 91 WSFTFQTYAC101 LSRIRAQLAS111 LNGKLKDAEK121 PVLFFERSVY131 SDRYIFASNL 141 YESECMNETE151 WTIYQDWHDW161 MNNQFGQSLE171 LDGIIYLQAT181 PETCLHRIYL 191 RGRNEEQGIP201 LEYLEKLHYK211 HESWLLHRTL221 KTNFDYLQEV231 PILTLDVNED 241 FKDKYESLVE251 KVKEFLSTL
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| PDB ID: 2A2Z Crystal Structure of human deoxycytidine kinase in complex with deoxycytidine and uridine diphosphate | ||||||
| Method | X-ray diffraction | Resolution | 3.02 Å | Mutation | No | [2] |
| PDB Sequence |
RIKKISIEGN
29 IAAGKSTFVN39 ILKQLCEDWE49 VVPEPVARWC59 NVQSTNVLQM84 MYEKPERWSF 94 TFQTYACLSR104 IRAQLASLNG114 KEKPVLFFER128 SVYSDRYIFA138 SNLYESECMN 148 ETEWTIYQDW158 HDWMNNQFGQ168 SLELDGIIYL178 QATPETCLHR188 IYLRGRNEEQ 198 GIPLEYLEKL208 HYKHESWLLH218 RTLKTNFDYL228 QEVPILTLDV238 NEDFKDKYES 248 LVEKVKEFLS258 TL
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| PDB ID: 2A30 Crystal structure of human deoxycytidine kinase in complex with deoxycytidine | ||||||
| Method | X-ray diffraction | Resolution | 3.02 Å | Mutation | No | [2] |
| PDB Sequence |
RIKKISIEGN
29 IAAGKSTFVN39 ILKQLCEDWE49 VVPEPVARWC59 NVQSTNVLQM84 MYEKPERWSF 94 TFQTYACLSR104 IRAQLASLNG114 KLKDAEKPVL124 FFERSVYSDR134 YIFASNLYES 144 ECMNETEWTI154 YQDWHDWMNN164 QFGQSLELDG174 IIYLQATPET184 CLHRIYLRGR 194 NEEQGIPLEY204 LEKLHYKHES214 WLLHRTLKTN224 FDYLQEVPIL234 TLDVNEYESL 249 VEKVKEFLST259 L
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Click to Show 3D Structure of This Binding Site
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| PDB ID: 2NO1 C4S dCK variant of dCK in complex with D-dC+ADP | ||||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [3] |
| PDB Sequence |
TRIKKISIEG
28 NIAAGKSTFV38 NILKQLSEDW48 EVVPEPVARW58 SNVQSTQDEF68 EELTMSQKNG 78 GNVLQMMYEK88 PERWSFTFQT98 YACLSRIRAQ108 LASLNGKLKD118 AEKPVLFFER 128 SVYSDRYIFA138 SNLYESESMN148 ETEWTIYQDW158 HDWMNNQFSL170 ELDGIIYLQA 180 TPETCLHRIY190 LRGRNEEQGI200 PLEYLEKLHY210 KHESWLLHRT220 LKTNFDYLQE 230 VPILTLDVNE240 DFKDKYESLV250 EKVKEFLSTL260
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .DCZ or .DCZ2 or .DCZ3 or :3DCZ;style chemicals stick;color identity;select .A:30 or .A:53 or .A:55 or .A:58 or .A:82 or .A:85 or .A:86 or .A:96 or .A:97 or .A:100 or .A:104 or .A:128 or .A:133 or .A:137 or .A:194 or .A:197 or .A:200 or .A:204; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of human dCK suggests strategies to improve anticancer and antiviral therapy. Nat Struct Biol. 2003 Jul;10(7):513-9. | ||||
| REF 2 | Structural basis for the preference of UTP over ATP in human deoxycytidine kinase: illuminating the role of main-chain reorganization. Biochemistry. 2006 Jan 17;45(2):452-61. | ||||
| REF 3 | Nonenantioselectivity property of human deoxycytidine kinase explained by structures of the enzyme in complex with L- and D-nucleosides. J Med Chem. 2007 Jun 28;50(13):3004-14. | ||||
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