Structure of PDB 6qel Chain H Binding Site BS01

Receptor Information
>6qel Chain H (length=237) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKNVGDLMQRLQKMMPAHIKPAFKTGEELLAWQKEQGAIRSAALERENRA
MKMQRTFNRSGIRPLHQNCSFENYRVECEGQMNALSKARQYVEEFDGNIA
SFIFSGKPGTGKNHLAAAICNELLLRGKSVLIITVADIMSAMKDTFREQL
LNDLSNVDLLVIDEIGVQTESKYEKVIINQIVDRRSSSKRPTGMLTNSNM
EEMTKLLGERVMDRMRLGNSLWVIFNWDSYRSRVTGK
Ligand information
Ligand ID08T
InChIInChI=1S/C10H15N5O10P2.Be.3FH/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);;3*1H/q;+4;;;/p-4/t4-,6-,7-,10-;;;;/m1..../s1
InChIKeyWOGYHYSOODLXII-KWIZKVQNSA-J
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2[Be](OP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)(F)(F)F
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.2[Be](OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(F)(F)F
FormulaC10 H14 Be F3 N5 O10 P2
Name[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium
ChEMBL
DrugBank
ZINC
PDB chain6qel Chain H Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6qel Physical Basis for the Loading of a Bacterial Replicative Helicase onto DNA.
Resolution3.9 Å
Binding residue
(original residue number in PDB)		H66 Y74 P108 K112 N113 H114 R237
Binding residue
(residue number reindexed from 1)		H66 Y74 P108 K112 N113 H114 R231
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
Biological Process
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006269 DNA replication, synthesis of primer
GO:0006270 DNA replication initiation
GO:0006271 DNA strand elongation involved in DNA replication
GO:0031297 replication fork processing
Cellular Component
GO:1990077 primosome complex
GO:1990100 DnaB-DnaC complex
GO:1990158 DnaB-DnaC-DnaT-PriA-PriB complex
GO:1990159 DnaB-DnaC-DnaT-PriA-PriC complex
GO:1990160 DnaB-DnaC-Rep-PriC complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6qel, PDBe:6qel, PDBj:6qel
PDBsum6qel
PubMed30797687
UniProtP0AEF0|DNAC_ECOLI Replicative helicase loader DnaC (Gene Name=dnaC)

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