Target Binding Site Detail

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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 (2s,3r,5s)-5-(6-Amino-9h-Purin-9-Yl)-Tetrahydro-2-(Hydroxymethyl)furan-3-Ol 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+/m1/s1
InChIKey OLXZPDWKRNYJJZ-VQVTYTSYSA-N
PubChem Compound ID 489519
Drug Binding Sites of Target  Top
PDB ID: 2ZI5      C4S dCK variant of dCK in complex with L-dA+UDP
Method X-ray diffraction Resolution 1.77 Å Mutation Yes [1]
PDB Sequence
RIKKISIEGN
1029
IAAGKSTFVN
1039
ILKQLSEDWE
1049
VVPEPVARWK
1076
NGGNVLQMMY
1086

EKPERWSFTF
1096
QTYACLSRIR
1106
AQLASLNAEK
1121
PVLFFERSVY
1131
SDRYIFASNL
1141

YESESMNETE
1151
WTIYQDWHDW
1161
MNNQFGQSLE
1171
LDGIIYLQAT
1181
PETCLHRIYL
1191

RGRNEEQGIP
1201
LEYLEKLHYK
1211
HESWLLHRTL
1221
KTNFDYLQEV
1231
PILTLDVNED
1241

FKDKYESLVE
1251
KVKEFLSTL
Residue
Distance (Å)
ILE1030
3.919
GLU1053
3.496
VAL1055
3.870
LEU1082
3.985
MET1085
3.497
TYR1086
3.027
PHE1096
3.540
GLN1097
2.862
ALA1100
4.046
Residue
Distance (Å)
ARG1104
3.902
ARG1128
3.811
ASP1133
2.926
PHE1137
3.474
LEU1141
4.699
GLU1197
4.099
ILE1200
4.583
TYR1204
3.615
PDB ID: 2ZI4      C4S dCK variant of dCK in complex with L-dA+ADP
Method X-ray diffraction Resolution 2.10 Å Mutation Yes [1]
PDB Sequence
RIKKISIEGN
29
IAAGKSTFVN
39
ILKQLSEDWE
49
VVPEPVARWS
59
NVQSNGGNVL
82

QMMYEKPERW
92
SFTFQTYACL
102
SRIRAQLASL
112
NGKLKDAEKP
122
VLFFERSVYS
132

DRYIFASNLY
142
ESESMNETEW
152
TIYQDWHDWM
162
NNQFGQSLEL
172
DGIIYLQATP
182

ETCLHRIYLR
192
GRNEEQGIPL
202
EYLEKLHYKH
212
ESWLLHRTLK
222
TNFDYLQEVP
232

ILTLDVNEDF
242
KDKYESLVEK
252
VKEFLSTL
Residue
Distance (Å)
ILE30
4.011
GLU53
2.331
VAL55
3.796
TRP58
3.517
LEU82
3.646
MET85
3.779
TYR86
2.626
PHE96
3.362
GLN97
2.793
ALA100
4.130
Residue
Distance (Å)
ARG104
3.250
ARG128
3.030
ASP133
2.981
PHE137
3.212
LEU141
4.330
ARG194
4.183
GLU197
2.738
ILE200
4.541
TYR204
4.425
References  Top
REF 1 Structural basis for substrate promiscuity of dCK. J Mol Biol. 2008 May 2;378(3):607-21.

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