Structure of PDB 3aal Chain A Binding Site BS02

Receptor Information
>3aal Chain A (length=298) Species: 1462 (Geobacillus kaustophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIGSHVSMSGKKMLLAASEEAASYGANTFMIYTGAPQNTKRKSIEELNI
EAGRQHMQAHGIEEIVVHAPYIINIGNTTNLDTFSLGVDFLRAEIERTEA
IGAKQLVLHPGAHVGAGVEAGLRQIIRGLNEVLTREQNVQIALETMAGKG
SECGRTFEELAYIIDGVAYNDKLSVCFDTCHTHDAGYDIVNDFDGVLEEF
DRIIGLGRLKVLHINDSKNPRGSRKDRHENIGFGHIGFAALNYIVHHPQL
EDIPKILETPYVGEDKNNKKPPYKHEIAMLRAQSFDDQLLEKINAGAE
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain3aal Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3aal An additional C-terminal loop in endonuclease IV, an apurinic/apyrimidinic endonuclease, controls binding affinity to DNA
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E145 D179 H214 E259
Binding residue
(residue number reindexed from 1)		E144 D178 H213 E258
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q39 H69 Y72 H110 E145 D179 H182 H214 D227 H229 E259
Catalytic site (residue number reindexed from 1) Q38 H68 Y71 H109 E144 D178 H181 H213 D226 H228 E258
Enzyme Commision number 3.1.21.2: deoxyribonuclease IV.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0004519 endonuclease activity
GO:0008081 phosphoric diester hydrolase activity
GO:0008270 zinc ion binding
GO:0008833 deoxyribonuclease IV (phage-T4-induced) activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:3aal, PDBe:3aal, PDBj:3aal
PDBsum3aal
PubMed21358045
UniProtQ5KX27|END4_GEOKA Probable endonuclease 4 (Gene Name=nfo)

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