Structure of PDB 4nl4 Chain H Binding Site BS01

Receptor Information
>4nl4 Chain H (length=698) Species: 272620 (Klebsiella pneumoniae subsp. pneumoniae MGH 78578) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SVAHVALPVPLPRTFDYLLPEGMAVKAGCRVRVPFGKQERIGIVAAVSER
SELPLDELKPVAEALDDEPVFSTTVWRLLMWAAEYYHHPIGDVLFHALPV
MLRQGKPASATPLWYWFATEQGQVVDLNGLKRSRKQQQALAALRQGKIWR
HQVGELEFNEAALQALRGKGLAELACEATDWRSAYSVAGERLRLNTEQAT
AVGAIHSAADRFSAWLLAGITGSGKTEVYLSVLENVLAQGRQALVMVPEI
GLTPQTIARFRQRFNAPVEVLHSGLNDSERLSAWLKAKNGEAAIVIGTRS
SLFTPFKDLGVIVIDEEHDSSYKQQEGWRYHARDLAVWRAHSEQIPIILG
SATPALETLHNVRQGKYRQLTLSKPAQQHVLDLKGQPLQAGLSPALISRM
RQHLQADNQVILFLNRRGFAPALLCHDCGWIAECPRCDSYYTLHQAQHHL
RCHHCDSQRPIPRQCPSCGSTHLVPVGIGTEQLEQALAPLFPEVPISRID
RHLAAVHRGGARILIGTQMLAKGHHFPDVTLVSLLDVDGALFSADFRSAE
RFAQLYTQVSGRAGRAGKQGEVILQTHHPEHPLLQTLLYKGYDAFAEQAL
AERQTMQLPPWTSHVLIRAEDHNNQQAPLFLQQLRNLLQASPLADEKLWV
LGPVPALRWQILLQHPSRVRLQHIVSGTLALINTLPEAWVLDVDPIEG
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 chain4nl4 Chain H Residue 801 [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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PDB4nl4 Structural mechanisms of PriA-mediated DNA replication restart.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		G228 K229 T230 E231 R263
Binding residue
(residue number reindexed from 1)		G224 K225 T226 E227 R259
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.4.-
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0043138 3'-5' DNA helicase activity
GO:0046872 metal ion binding
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:0006302 double-strand break repair
GO:0006310 DNA recombination
GO:0032508 DNA duplex unwinding
Cellular Component
GO:1990077 primosome complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4nl4, PDBe:4nl4, PDBj:4nl4
PDBsum4nl4
PubMed24379377
UniProtA6TGC5

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