Structure of PDB 1w4r Chain B Binding Site BS02

Receptor Information
>1w4r Chain B (length=167) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RGQIQVILGPMFSGKSTELMRRVRRFQIAQYKCLVIKYAKDTRYSSSFME
ALPACLLRDVAQEALGVAVIGIDEGQFFPDIVEFCEAMANAGKTVIVAAL
DGTFQRKPFGAILNLVPLAESVVKLTAVCMECFREAAYTKRLGTEKEVEV
IGGADKYHSVCRLCYFK
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 chain1w4r Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1w4r Structure of a Type II Thymidine Kinase with Bound Dttp
Resolution1.83 Å
Binding residue
(original residue number in PDB)		C153 C156 C185 C188
Binding residue
(residue number reindexed from 1)		C129 C132 C161 C164
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

View graph for
Molecular Function
External links
PDB RCSB:1w4r, PDBe:1w4r, PDBj:1w4r
PDBsum1w4r
PubMed15733844
UniProtP04183|KITH_HUMAN Thymidine kinase, cytosolic (Gene Name=TK1)

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