Structure of PDB 3spl Chain D Binding Site BS03

Receptor Information
>3spl Chain D (length=200) Species: 284812 (Schizosaccharomyces pombe 972h-) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFRDNLKVYIESPESYKNVIYYDDDVVLVRDMFPKSKMHLLLMTRDPHLT
HVHPLEIMMKHRSLVEKLVSYVQGDLSGLIFDEARNCLSQQLTNEALANY
IKVGFHAGPSMNNLHLHIMTLDHVSPSLKNSAHYISFTSPFFVKIDTPTS
NLPTRGTLTSLFQEDLKCWRCGETFGRHFTKLKAHLQEEYDDWLDKSVSM
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 chain3spl Chain D Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3spl Crystal structures of aprataxin ortholog Hnt3 reveal the mechanism for reversal of 5'-adenylated DNA
Resolution2.101 Å
Binding residue
(original residue number in PDB)		C200 C203 H217 E221
Binding residue
(residue number reindexed from 1)		C168 C171 H185 E189
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.71: adenosine-5'-diphospho-5'-[DNA] diphosphatase.
3.6.1.72: DNA-3'-diphospho-5'-guanosine diphosphatase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:3spl, PDBe:3spl, PDBj:3spl
PDBsum3spl
PubMed21984208
UniProtO74859|APTX_SCHPO Aprataxin-like protein (Gene Name=hnt3)

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