Structure of PDB 3au6 Chain A Binding Site BS03

Receptor Information
>3au6 Chain A (length=562) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNQELARIFEEIGLMSEFLGDNPFRVRAYHQAARTLYDLDTPIEEIAEK
GKEALMELPGVGPDLAEKILEFLRTGKVRKHEELSRKVPRGVLEVMEVPG
VGPKTARLLYEGLGIDSLEKLKAALDRGFGPKRAERIREGLALAQAAGKR
RPLGAVLSLARSLLEAIRALPGVERAELCGSARRYKDTVGDLDFLVASRE
GERAVEGFVRLPQVKEVYAKGKERATVFLKNGLQVDLRVVPPESYGAGLQ
YLTGSKAHSIRLRALAQEKGLKLSEYGVFRGEKRIAGETEEEVYAALGLP
WIPPPLREDQGEVEAALEGRLPKLLELPQVKGDLQVHSTYSDGQNTLEEL
WEAAKTMGYRYLAVTDHSPAVRVGPSPEEALKRVGEIRRFNETHGPPYLL
AGAEVDIHPDGTLDYPDWVLRELDLVLVSVHSRFNLPKADQTKRLLKALE
NPFVHVLAHPTARLLGRRAPIEADWEAVFQKAKEKGVAVEIDGYYDRMDL
PDDLARMAYGMGLWISLSTDAHQTDHLRFMELAVGTAQRAWIGPERVLNT
LDYEDLLSWLKA
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 chain3au6 Chain A Residue 577 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3au6 The structural basis of the kinetic mechanism of a gap-filling X-family DNA polymerase that binds Mg(2+)-dNTP before binding to DNA.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		S188 D198 D200
Binding residue
(residue number reindexed from 1)		S181 D191 D193
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
4.2.99.18: DNA-(apurinic or apyrimidinic site) lyase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0003887 DNA-directed DNA polymerase activity
GO:0008270 zinc ion binding
GO:0042578 phosphoric ester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0071897 DNA biosynthetic process
GO:0071978 bacterial-type flagellum-dependent swarming motility
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3au6, PDBe:3au6, PDBj:3au6
PDBsum3au6
PubMed22306405
UniProtQ5SJ64

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