Structure of PDB 3gli Chain I Binding Site BS03

Receptor Information
>3gli Chain I (length=362) 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
TLLRALAFHPRM
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 chain3gli Chain I Residue 410 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gli The mechanism of ATP-dependent primer-template recognition by a clamp loader complex.
Resolution3.5 Å
Binding residue
(original residue number in PDB)		A7 R11 P12 V18 V19 G48 V49 G50 K51 T52 S53 L214 R215
Binding residue
(residue number reindexed from 1)		A6 R10 P11 V17 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:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication
Cellular Component
GO:0009360 DNA polymerase III complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3gli, PDBe:3gli, PDBj:3gli
PDBsum3gli
PubMed19450514
UniProtP06710|DPO3X_ECOLI DNA polymerase III subunit tau (Gene Name=dnaX)

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