Structure of PDB 1xp3 Chain A Binding Site BS01

Receptor Information
>1xp3 Chain A (length=297) Species: 1392 (Bacillus anthracis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LKIGSHVSMSGKKMLLAASEEAVSYGATTFMIYTGAPQNTRRKPIEELNI
EAGRKHMEQNGIEEIIIHAPYIINVGNTTKPETFQLGVDFLRMEIERTSA
LGVAKQIVLHPGAHVGAGADAGIQQIIKGLNEVLTPDQTVNIALETMAGK
GTECGRSFEEIAKIIDGVKYNEKLSVCFDTCHTHDAGYDIVNNFDGVLNE
FDKIVGIDRLQVLHINDSKNVRGAGKDRHENIGFGHIGYKALHHIVHHPQ
LTHVPKILETPYVGEDKKDKKPPYKLEIEMLKNGTFDEGLLEKIKAQ
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 chain1xp3 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xp3 Crystal Structure of Endonuclease IV (BA4508) from Bacillus anthracis at 2.57A Resolution.
Resolution2.57 Å
Binding residue
(original residue number in PDB)		H69 H111 E146
Binding residue
(residue number reindexed from 1)		H68 H110 E145
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) Q39 H69 Y72 H111 E146 D180 H183 H215 D228 H230 E260
Catalytic site (residue number reindexed from 1) Q38 H68 Y71 H110 E145 D179 H182 H214 D227 H229 E259
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:1xp3, PDBe:1xp3, PDBj:1xp3
PDBsum1xp3
PubMed
UniProtQ81LV1|END4_BACAN Probable endonuclease 4 (Gene Name=nfo)

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