Structure of PDB 2orv Chain A Binding Site BS01

Receptor Information
>2orv Chain A (length=163) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYMEALPA
CLLRDVAQEALGVAVIGIDEGQFFPDIVEFCEAMANAGKTVIVAALDGTF
QRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRLGTEKEVEVIGGA
DKYHSVCRLCYFK
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 chain2orv Chain A Residue 235 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2orv Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		C153 C156 C188
Binding residue
(residue number reindexed from 1)		C125 C128 C160
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.21: thymidine kinase.
Gene Ontology
Molecular Function
GO:0004797 thymidine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0016310 phosphorylation
GO:0046104 thymidine metabolic process
GO:0046105 thymidine biosynthetic process
GO:0051289 protein homotetramerization
GO:0071897 DNA biosynthetic process
GO:1904860 DNA synthesis involved in mitotic DNA replication
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2orv, PDBe:2orv, PDBj:2orv
PDBsum2orv
PubMed17407781
UniProtP04183|KITH_HUMAN Thymidine kinase, cytosolic (Gene Name=TK1)

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