Structure of PDB 8igi Chain B Binding Site BS01

Receptor Information
>8igi Chain B (length=251) Species: 85962 (Helicobacter pylori 26695) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FMKLISWNVNGLRACMTKGFMDFFNSVDADVFCIQESKMQQEQNTFEFKG
YFDFWNCAIKKGYSGVVTFTKKEPLSVSYGINMEEHDKEGRVITCEFESF
YLVNVYTPNSQQALSRLSYRMSWEVEFKKFLKALELKKPVIVCGDLNVAH
NEIDLENPKTNRKNAGFSDEEREKFSELLNAGFIDTFRYFYPNKEKAYTW
WSYMQQARDKNIGWRIDYFLCSNPLKTRLKDALIYKDILGSDHCPVGLEL
V
Ligand information
Ligand IDBU2
InChIInChI=1S/C4H10O2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3/t4-/m0/s1
InChIKeyPUPZLCDOIYMWBV-BYPYZUCNSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCCC(O)C
OpenEye OEToolkits 1.5.0C[C@@H](CCO)O
CACTVS 3.341C[CH](O)CCO
CACTVS 3.341C[C@H](O)CCO
OpenEye OEToolkits 1.5.0CC(CCO)O
FormulaC4 H10 O2
Name1,3-BUTANEDIOL
ChEMBLCHEMBL1231501
DrugBankDB02202
ZINCZINC000001867144
PDB chain8igi Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8igi Crystal structure of the apurinic/apyrimidinic endonuclease XthA (HP1526 protein) from Helicobacter pylori.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		N108 A164 W199 W213
Binding residue
(residue number reindexed from 1)		N109 A165 W200 W214
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0004518 nuclease activity
GO:0004519 endonuclease activity
GO:0008081 phosphoric diester hydrolase activity
GO:0008311 double-stranded DNA 3'-5' DNA exonuclease 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:8igi, PDBe:8igi, PDBj:8igi
PDBsum8igi
PubMed37116395
UniProtO26054

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