Structure of PDB 1q39 Chain A Binding Site BS01

Receptor Information
>1q39 Chain A (length=257) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEIRRAADNLEAAIKGKPLTDVWFAFPQLKTYQSQLIGQHVTHVETRGKA
LLTHFSNDLTLYSHNQLYGVWRVVDTGEETTRVLRVKLQTADKTILLYSA
SDIEMLRPEQLTTHPFLQRVGPDVLDPNLTPEVVKERLLSPRFRNRQFAG
LLLDQAFLAGLGNYLRVEILWQVGLTGNHKAKDLNAAQLDALAHALLEIP
RFSYATRGQVDENKHHGALFRFKVFHRDGEPCERCGSIIEKTTLSSRPFY
WCPGCQH
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 chain1q39 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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PDB1q39 Structure of the uncomplexed DNA repair enzyme endonuclease VIII indicates significant interdomain flexibility.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C237 C257 C260
Binding residue
(residue number reindexed from 1)		C232 C252 C255
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:0000703 oxidized pyrimidine nucleobase lesion DNA N-glycosylase activity
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016798 hydrolase activity, acting on glycosyl bonds
GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
GO:0016829 lyase activity
GO:0019104 DNA N-glycosylase activity
GO:0046872 metal ion binding
GO:0140078 class I DNA-(apurinic or apyrimidinic site) endonuclease activity
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:1q39, PDBe:1q39, PDBj:1q39
PDBsum1q39
PubMed16145054
UniProtP50465|END8_ECOLI Endonuclease 8 (Gene Name=nei)

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