Structure of PDB 1of1 Chain A

Receptor sequence
>1of1A (length=307) Species: 10299 (Human alphaherpesvirus 1 strain 17) [Search protein sequence]
MPTLLRVYIDGPHGMGKTTTTQLLVADDIVYVPEPMTYWRVLGASETIAN
IYTTQHRLDQGEISAGDAAVVMTSAQITMGMPYAVTDAVLAPHIGGEAPP
PALTLIFDRHPIAALLCYPAARYLMGSMTPQAVLAFVALIPPTLPGTNIV
LGALPEDRHIDRLAKRQRPGERLDLAMLAAIRRVYGLLANTVRYLQCGGS
WREDWGQLSGTGPRPHIGDTLFTLFRAPELLAPNGDLYNVFAWALDVLAK
RLRSMHVFILDYDQSPAGCRDALLQLTSGMVQTHVTTPGSIPTICDLART
FAREMGE
3D structure
PDB1of1 Biochemical and Structural Characterization of (South)-Methanocarbathymidine that Specifically Inhibits Growth of Herpes Simplex Virus Type 1 Thymidine Kinase-Transduced Osteosarcoma Cells
ChainA
Resolution1.95 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) K62 E83 D162 R163 R220 E225
Catalytic site (residue number reindexed from 1) K17 E34 D108 R109 R166 E171
Enzyme Commision number 2.7.1.21: thymidine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 SCT A H58 I97 Y101 Q125 M128 R163 A168 Y172 R222 E225 H13 I48 Y52 Q76 M79 R109 A114 Y118 R168 E171 MOAD: ic50=15uM
Gene Ontology
Molecular Function
GO:0004797 thymidine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006230 TMP biosynthetic process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0016310 phosphorylation
GO:0071897 DNA biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1of1, PDBe:1of1, PDBj:1of1
PDBsum1of1
PubMed15163659
UniProtP0DTH5|KITH_HHV11 Thymidine kinase (Gene Name=TK)

[Back to BioLiP]