Structure of PDB 1xx6 Chain A Binding Site BS01

Receptor Information
>1xx6 Chain A (length=178) Species: 272562 (Clostridium acetobutylicum ATCC 824) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YRPKDHGWVEVIVGPMYSGKSEELIRRIRRAKIAKQKIQVFKPEEDVVSH
MGEKEQAVAIKNSREILKYFEEDTEVIAIDEVQFFDDEIVEIVNKIAESG
RRVICAGLDMDFRGKPFGPIPELMAIAEFVDKIQAICVVCGNPATRTQRL
INGKPAFYDDPVMESYEARCRKCHVVPQ
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain1xx6 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1xx6 X-ray structure of Clostridium acetobutylicum thymidine kinase with ADP. Northeast Structural Genomics Target CAR26.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C145 C148 C183 C186
Binding residue
(residue number reindexed from 1)		C137 C140 C170 C173
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.21: thymidine kinase.
Gene Ontology
Molecular Function
GO:0004797 thymidine kinase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016301 kinase activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0016310 phosphorylation
GO:0046104 thymidine metabolic process
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1xx6, PDBe:1xx6, PDBj:1xx6
PDBsum1xx6
PubMed
UniProtQ97F65|KITH_CLOAB Thymidine kinase (Gene Name=tdk)

[Back to BioLiP]