Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T30081 Target Info
Target Name Thymidine kinase 1 (TK1)
Synonyms Thymidine kinase, cytosolic
Target Type Successful Target
Gene Name TK1
Biochemical Class Kinase
UniProt ID
KITH_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: 2'-deoxythymidine triphosphate Ligand Info
Structure Description Structure of a type II thymidine kinase with bound dTTP PDB:1W4R
Method X-ray diffraction Resolution 1.83 Å Mutation No [1]
PDB Sequence
RGQIQVILGP
27
MFSGKSTELM
37
RRVRRFQIAQ
47
YKCLVIKYAK
57
DTRYSSSFCT
67

HDRNTMEALP
77
ACLLRDVAQE
87
ALGVAVIGID
97
EGQFFPDIVE
107
FCEAMANAGK
117

TVIVAALDGT
127
FQRKPFGAIL
137
NLVPLAESVV
147
KLTAVCMECF
157
REAAYTKRLG
167

TEKEVEVIGG
177
ADKYHSVCRL
187
CYFK
Residue
Distance (Å)
PRO27
3.803
MET28
3.500
PHE29
2.911
SER30
3.400
GLY31
3.002
LYS32
2.538
SER33
3.195
THR34
4.745
ASP58
2.694
ARG60
3.246
SER63
4.440
ASP97
4.680
GLU98
3.440
GLN100
4.037
Residue
Distance (Å)
PHE101
3.281
LEU124
3.366
GLY126
4.190
THR127
3.461
PHE128
2.777
PHE133
3.515
THR163
3.703
ARG165
3.733
VAL172
2.729
GLU173
3.252
VAL174
2.840
ILE175
3.421
GLY176
3.271
TYR181
3.141
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Ligand Name: P(1)-(Adenosine-5')-P(5)-(thymidine-5')-pentaphosphate Ligand Info
Structure Description human Thymidine Kinase 1 in complex with TP4A PDB:2ORV
Method X-ray diffraction Resolution 2.30 Å Mutation Yes [2]
PDB Sequence
RGQIQVILGP
27
MFSGKSTELM
37
RRVRRFQIAQ
47
YKCLVIKYAK
57
DTRYMEALPA
78

CLLRDVAQEA
88
LGVAVIGIDE
98
GQFFPDIVEF
108
CEAMANAGKT
118
VIVAALDGTF
128

QRKPFGAILN
138
LVPLAESVVK
148
LTAVCMECFR
158
EAAYTKRLGT
168
EKEVEVIGGA
178

DKYHSVCRLC
188
YFK
Residue
Distance (Å)
PRO27
4.111
MET28
3.378
PHE29
3.280
SER30
3.289
GLY31
2.921
LYS32
2.695
SER33
2.894
THR34
4.529
ASP58
2.916
ARG60
3.341
ASP97
2.930
GLU98
3.317
GLN100
3.276
PHE101
3.119
Residue
Distance (Å)
ALA123
4.724
LEU124
3.253
GLY126
4.128
THR127
3.558
PHE128
3.104
PHE133
3.432
THR163
4.114
ARG165
3.777
VAL172
2.640
GLU173
3.390
VAL174
3.039
ILE175
3.290
GLY176
2.973
TYR181
3.321
References  Top
REF 1 Structure of a type II thymidine kinase with bound dTTP. FEBS Lett. 2005 Feb 28;579(6):1376-82.
REF 2 Binding of ATP to TK1-like enzymes is associated with a conformational change in the quaternary structure. J Mol Biol. 2007 May 25;369(1):129-41.

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