Structure of PDB 8bq7 Chain A Binding Site BS01

Receptor Information
>8bq7 Chain A (length=311) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMRHRTLSSSPALWASIPCPRSELRLDLVLASGQSFRWKEQSPAHWSGVL
ADQVWTLTQTEDQLYCTVYRGDDSQVSRPTLEELETLHKYFQLDVSLAQL
YSHWASVDSHFQRVAQKFQGVRLLRQDPTECLFSFICSSNNNIARITGMV
ERLCQAFGPRLIQLDDVTYHGFPNLHALAGPEAETHLRKLGLGYRARYVR
ASAKAILEEQGGPAWLQQLRVAPYEEAHKALCTLPGVGAKVADCICLMAL
DKPQAVPVDVHVWQIAHRDYGWHPKTPSPLANKELGNFFRNLWGPYAGWA
QAVLFSADLRQ
Ligand information
Ligand IDR4U
InChIInChI=1S/C11H16N6/c12-11-15-9(8-6-13-17-10(8)16-11)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H4,12,13,14,15,16,17)
InChIKeyIQIULFHBHXKBGP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Nc1nc(NC2CCCCC2)c3c[nH]nc3n1
OpenEye OEToolkits 2.0.7c1c2c(nc(nc2NC3CCCCC3)N)n[nH]1
FormulaC11 H16 N6
Name~{N}4-cyclohexyl-2~{H}-pyrazolo[3,4-d]pyrimidine-4,6-diamine
ChEMBL
DrugBank
ZINC
PDB chain8bq7 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8bq7 Structure of the mouse 8-oxoguanine DNA Glycosylase mOGG1 in complex with ligand TH2829
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G42 K249 M257 D268 Q315 F319
Binding residue
(residue number reindexed from 1)		G33 K240 M248 D259 Q301 F305
Annotation score1
Enzymatic activity
Enzyme Commision number 3.2.2.-
4.2.99.18: DNA-(apurinic or apyrimidinic site) lyase.
Gene Ontology
Molecular Function
GO:0000702 oxidized base lesion DNA N-glycosylase activity
GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003824 catalytic activity
GO:0008017 microtubule binding
GO:0008534 oxidized purine nucleobase lesion DNA N-glycosylase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016829 lyase activity
GO:0019104 DNA N-glycosylase activity
GO:0019899 enzyme binding
GO:0032357 oxidized purine DNA binding
GO:0034039 8-oxo-7,8-dihydroguanine DNA N-glycosylase activity
GO:0140078 class I DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0140097 catalytic activity, acting on DNA
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006289 nucleotide-excision repair
GO:0006355 regulation of DNA-templated transcription
GO:0006974 DNA damage response
GO:0006979 response to oxidative stress
GO:0009314 response to radiation
GO:0009410 response to xenobiotic stimulus
GO:0009416 response to light stimulus
GO:0032355 response to estradiol
GO:0034614 cellular response to reactive oxygen species
GO:0043066 negative regulation of apoptotic process
GO:0044029 positive regulation of gene expression via chromosomal CpG island demethylation
GO:0045471 response to ethanol
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0051593 response to folic acid
GO:0071276 cellular response to cadmium ion
GO:1901291 negative regulation of double-strand break repair via single-strand annealing
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005739 mitochondrion
GO:0016363 nuclear matrix
GO:0016607 nuclear speck
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8bq7, PDBe:8bq7, PDBj:8bq7
PDBsum8bq7
PubMed
UniProtO08760|OGG1_MOUSE N-glycosylase/DNA lyase (Gene Name=Ogg1)

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