Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
DCK_HUMAN
Ligand General Information  Top
Ligand Name Deoxyadenosine Ligand Info
Canonical SMILES C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O
InChI 1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)/t5-,6+,7+/m0/s1
InChIKey OLXZPDWKRNYJJZ-RRKCRQDMSA-N
PubChem Compound ID 13730
Drug Binding Sites of Target  Top
PDB ID: 2ZI6      C4S dCK variant of dCK in complex with D-dA+UDP
Method X-ray diffraction Resolution 1.77 Å Mutation Yes [1]
PDB Sequence
RIKKISIEGN
1029
IAAGKSTFVN
1039
ILKQLSEDWE
1049
VVPEPVARWG
1078
GNVLQMMYEK
1088

PERWSFTFQT
1098
YACLSRIRAQ
1108
LASLNAEKPV
1123
LFFERSVYSD
1133
RYIFASNLYE
1143

SESMNETEWT
1153
IYQDWHDWMN
1163
NQFGQSLELD
1173
GIIYLQATPE
1183
TCLHRIYLRG
1193

RNEEQGIPLE
1203
YLEKLHYKHE
1213
SWLLHRTLKT
1223
NFDYLQEVPI
1233
LTLDVNEDFK
1243

DKYESLVEKV
1253
KEFLSTL
Residue
Distance (Å)
ILE1030
4.235
GLU1053
3.107
VAL1055
3.633
LEU1082
3.812
MET1085
4.082
TYR1086
2.409
PHE1096
3.589
GLN1097
3.068
ALA1100
4.161
Residue
Distance (Å)
ARG1104
4.317
ARG1128
3.686
ASP1133
2.665
PHE1137
3.306
LEU1141
4.435
GLU1197
3.947
ILE1200
4.259
TYR1204
4.078
PDB ID: 2ZI3      C4S-E247A dCK variant of dCK in complex with D-dA+ADP
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [1]
PDB Sequence
RIKKISIEGN
29
IAAGKSTFVN
39
ILKQLSEDWE
49
VVPEPVARWS
59
NVQSTQDEFE
69

ELTMSQKNGG
79
NVLQMMYEKP
89
ERWSFTFQTY
99
ACLSRIRAQL
109
ASLNGKLKDA
119

EKPVLFFERS
129
VYSDRYIFAS
139
NLYESESMNE
149
TEWTIYQDWH
159
DWMNNQFGQS
169

LELDGIIYLQ
179
ATPETCLHRI
189
YLRGRNEEQG
199
IPLEYLEKLH
209
YKHESWLLHR
219

TLKTNFDYLQ
229
EVPILTLDVN
239
EDFKDKYASL
249
VEKVKEFLST
259
L
Residue
Distance (Å)
ILE30
3.327
GLU53
2.473
VAL55
4.085
TRP58
3.270
LEU82
3.546
MET85
4.393
TYR86
2.725
PHE96
3.237
GLN97
2.792
ALA100
4.499
ARG104
3.752
Residue
Distance (Å)
ARG128
3.628
ASP133
2.534
PHE137
3.082
ALA138
4.983
LEU141
4.734
ARG192
4.763
ARG194
3.883
GLU197
2.369
ILE200
4.601
TYR204
4.560
References  Top
REF 1 Structural basis for substrate promiscuity of dCK. J Mol Biol. 2008 May 2;378(3):607-21.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.