Structure of PDB 1pvs Chain A Binding Site BS01

Receptor Information
>1pvs Chain A (length=282) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYTLNWQPPYDWSWMLGFLAARAVSSVETVADSYYARSLAVGEYRGVVTA
IPDIARHTLHINLSAGLEPVAAECLAKMSRLFDLQCNPQIVNGALGRLGA
ARPGLRLPGCVDAFEQGVRAILGQLVSVAMAAKLTARVAQLYGERLDDFP
EYICFPTPQRLAAADPQALKALGMPLKRAEALIHLANAALEGTLPMTIPG
DVEQAMKTLQTFPGIGRWTANYFALRGWQAKDVFLPDDYLIKQRFPGMTP
AQIRRYAERWKPWRSYALLHIWYTEGWQPDEA
Ligand information
Ligand ID7HP
InChIInChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h1-2H,(H,8,9)(H,6,7,10)
InChIKeyJFZSDNLQDTYVEE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04n1c(O)c2c(nc1)cnn2
CACTVS 3.341Oc1ncnc2cn[nH]c12
OpenEye OEToolkits 1.5.0c1c2c(c(ncn2)O)[nH]n1
FormulaC5 H4 N4 O
Name7-HYDROXY-PYRAZOLO[4,3-D]PYRIMIDINE
ChEMBL
DrugBank
ZINCZINC000011592630
PDB chain1pvs Chain A Residue 800 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pvs 3-methyladenine-DNA glycosylase II: the crystal structure of an AlkA-hypoxanthine complex suggests the possibility of product inhibition.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		G123 Q124 L125 W218 D237 D238 Y239
Binding residue
(residue number reindexed from 1)		G123 Q124 L125 W218 D237 D238 Y239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) W218 Y222 D238
Catalytic site (residue number reindexed from 1) W218 Y222 D238
Enzyme Commision number 3.2.2.21: DNA-3-methyladenine glycosylase II.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0003905 alkylbase DNA N-glycosylase activity
GO:0005515 protein binding
GO:0008725 DNA-3-methyladenine glycosylase activity
GO:0016787 hydrolase activity
GO:0032131 alkylated DNA binding
GO:0043916 DNA-7-methylguanine glycosylase activity
GO:0052821 DNA-7-methyladenine glycosylase activity
GO:0052822 DNA-3-methylguanine glycosylase activity
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair
GO:0006285 base-excision repair, AP site formation
GO:0006307 DNA alkylation repair
GO:0006950 response to stress
GO:0006974 DNA damage response
Cellular Component
GO:0005737 cytoplasm
GO:0032993 protein-DNA complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1pvs, PDBe:1pvs, PDBj:1pvs
PDBsum1pvs
PubMed12009927
UniProtP04395|3MG2_ECOLI DNA-3-methyladenine glycosylase 2 (Gene Name=alkA)

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