Structure of PDB 4ndi Chain B Binding Site BS04

Receptor Information
>4ndi Chain B (length=180) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSHMGHWSQGLKISMQDPKMQVYKDEQVVVIKDKYPQARYHWLVLPWTSI
SSLKAVAREHLELLKHMHTVGEKVIVDFAGSSKLRFRLGYHAIPSMSHVH
LHVISQDFDSPCLKNKKHWNSFNTEYFLESQAVIEMVQEAGRVTVRDGMP
ELLKLPLRCHECQQLLPSIPQLKEHLRKHW
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 chain4ndi Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ndi Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		C319 C322 H335 H339
Binding residue
(residue number reindexed from 1)		C159 C162 H175 H179
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:4ndi, PDBe:4ndi, PDBj:4ndi
PDBsum4ndi
PubMed24362567
UniProtQ7Z2E3|APTX_HUMAN Aprataxin (Gene Name=APTX)

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