Structure of PDB 8gj2 Chain D Binding Site BS02

Receptor Information
>8gj2 Chain D (length=360) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYQVLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGK
TSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKV
EDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVK
FLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPR
ALQLLARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTLDDDQALS
LVEAMVEANGERVMALINEAAARGIEWEALLVEMLGLLHRIAMVQLSPAA
LGNDMAAIELRMRELARTIPPTDIQLYYQTLLIGRKELPYAPDRRMGVEM
TLLRALAFHP
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8gj2 Chain D Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gj2 Structural characterisation of the complete cycle of sliding clamp loading in E. coli
Resolution2.6 Å
Binding residue
(original residue number in PDB)		A7 W10 V19 G48 V49 G50 K51 T52 S53 L214 R215
Binding residue
(residue number reindexed from 1)		A6 W9 V18 G47 V48 G49 K50 T51 S52 L213 R214
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0071897 DNA biosynthetic process
GO:0075523 viral translational frameshifting
Cellular Component
GO:0009360 DNA polymerase III complex
GO:0030894 replisome
GO:0043846 DNA polymerase III, clamp loader complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8gj2, PDBe:8gj2, PDBj:8gj2
PDBsum8gj2
PubMed
UniProtP06710|DPO3X_ECOLI DNA polymerase III subunit tau (Gene Name=dnaX)

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