Structure of PDB 3b0x Chain A Binding Site BS01

Receptor Information
>3b0x Chain A (length=575) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRNQELARIFEEIGLMSEFLGDNPFRVRAYHQAARTLYDLDTPIEEIAEK
GKEALMELPGVGPDLAEKILEFLRTGKVRKHEELSRKVPRGVLEVMEVPG
VGPKTARLLYEGLGIDSLEKLKAALDRGDLTRLKGFGPKRAERIREGLAL
AQAAGKRRPLGAVLSLARSLLEAIRALPGVERAELCGSARRYKDTVGDLD
FLVASREGERAVEGFVRLPQVKEVYAKGKERATVFLKNGLQVDLRVVPPE
SYGAGLQYLTGSAAHSIRLRALAQEKGLKLSEYGVFRGEKRIAGETEEEV
YAALGLPWIPPPLREDQGEVEAALEGRLPKLLELPQVKGDLQVHSTYSDG
QNTLEELWEAAKTMGYRYLAVTDHSPAVRVAGGPSPEEALKRVGEIRRFN
ETHGPPYLLAGAEVDIHPDGTLDYPDWVLRELDLVLVSVHSRFNLPKADQ
TKRLLKALENPFVHVLAHPTARLLGRRAPIEADWEAVFQKAKEKGVAVEI
DGYYDRMDLPDDLARMAYGMGLWISLSTDAHQTDHLRFMELAVGTAQRAW
IGPERVLNTLDYEDLLSWLKARRGV
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 chain3b0x Chain A Residue 576 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3b0x The structural basis of the kinetic mechanism of a gap-filling X-family DNA polymerase that binds Mg(2+)-dNTP before binding to DNA.
Resolution1.36 Å
Binding residue
(original residue number in PDB)		D349 H374 H531
Binding residue
(residue number reindexed from 1)		D349 H374 H531
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:3b0x, PDBe:3b0x, PDBj:3b0x
PDBsum3b0x
PubMed22306405
UniProtQ5SJ64

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