Structure of PDB 8h5y Chain A Binding Site BS03

Receptor Information
>8h5y Chain A (length=564) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIFTLRPYQQEAVDATLNHFRRHKTPAVIVLPTGAGKSLVIAELARLARG
RVLVLAHVKELVAQNHAKYQALGLEADIFAAGGKVVFGSVQSVARNLDAF
QGEFSLLIVDECHRIGDDEESQYQQILTHLTKVNPHLRLLGLTATPFRLG
KGWIYQFHYHGMVRGDEKALFRDCIYELPLRYMIKHGYLTPPERLDMPVV
QYDFSRLQAQSNGLFSEADLNRELKKQQRITPHIISQIMEFAATRKGVMI
FAATVEHAKEIVGLLPAEDAALITGDTPGAERDVLIENFKAQRFRYLVNV
AVLTTGFDAPHVDLIAILRPTESVSLYQQIVGRGLRLAPGKTDCLILDYA
GNPHDLYAPEVGTPKGKSDNVPVQVFCPACGFANTFWGKTTADGTLIEHF
GRRCQGWFEDDDGHREQCDFRFRFKNCQCNAENDIAARRCDTVLVDPDDM
LKAALRLKDALVLRCSGMSLQHGHDEKGEWLKITYYDEDGADVSERFRLQ
TPAQRTAFEQLFIRPHTRTPGIPLRWITAADILAQQALLRHPDFVVARMK
GQYWQVREKVFDYE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8h5y Chain A Residue 603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h5y Biochemical and Structural Analyses Shed Light on the Mechanisms of RadD DNA Binding and Its ATPase from Escherichia coli.
Resolution2.7001 Å
Binding residue
(original residue number in PDB)		G36 K37 S38
Binding residue
(residue number reindexed from 1)		G36 K37 S38
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006281 DNA repair
GO:0006301 postreplication repair
GO:0006302 double-strand break repair
GO:0006412 translation
GO:0009410 response to xenobiotic stimulus
GO:0010212 response to ionizing radiation
GO:0051301 cell division

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8h5y, PDBe:8h5y, PDBj:8h5y
PDBsum8h5y
PubMed36614183
UniProtP33919|RADD_ECOLI Putative DNA repair helicase RadD (Gene Name=radD)

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