Structure of PDB 8ouw Chain 3 Binding Site BS02

Receptor Information
>8ouw Chain 3 (length=619) Species: 6239 (Caenorhabditis elegans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRAEDARKQEITEQYLNFLDNQADTFHYRQKIVKMMNDGESRLVMNLDEI
REILPERAEGLLTQSVLEMNCLQSALQMAINRSDVQAVVKTGFHVGFEGT
FGERHVNPRTLKSSYLGNLVCCEGIVTKCSTVRQKLLTSVHYCPATNKVL
EKKFADFTMLDTAVTNNNYPTEDENKNPLETEFGHSVYKDHQTFTIQELP
ESAPAGQLPRAVDCVADLDLADRVKPGDRVRIIGVFRVLPNKQNGVSSGS
FRSIIIINHIQMLSIPNFEPQDVKDVRKISKSRNPFELLARSLAPSICGH
EETKKALLCLLLGGMEKILNNGSRLRGDINVLLIGDPSVAKSQLLRYVLR
MAPRAITTTGRGSSGVGLTAAVTRRLEAGAMVLADRGVVCIDEFDKMSDI
DRTAIHEVMEQGRVTISKAGIHAKLNARCSVLAAANPVYGRYNPFKSPME
NIGMQDSLLSRFDLIFVLLDEHDADKDANVAEHVLKLHTYRTQGEADGTV
LPSIYEENTQWAGIQDTKILTMDFMRKYIHLARSVQPKLTDEATEYISEV
YADIRSFDITKTDQERTMPVTARQLETLIRLSTAIAKARFSKKVEREDTE
KAYNLLHFACFKEKPKARQ
Ligand information
Ligand IDANP
InChIInChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
InChIKeyPVKSNHVPLWYQGJ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N
FormulaC10 H17 N6 O12 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
ChEMBLCHEMBL1230989
DrugBank
ZINCZINC000008660410
PDB chain8ouw Chain 3 Residue 1502 [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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PDB8ouw DNSN-1 recruits GINS for CMG helicase assembly during DNA replication initiation in Caenorhabditis elegans.
Resolution3.75 Å
Binding residue
(original residue number in PDB)		C311 V352 A353 K354 S355 Q356 N456
Binding residue
(residue number reindexed from 1)		C298 V339 A340 K341 S342 Q343 N436
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0006271 DNA strand elongation involved in DNA replication
GO:0006279 premeiotic DNA replication
GO:0032508 DNA duplex unwinding
GO:1902975 mitotic DNA replication initiation
Cellular Component
GO:0000793 condensed chromosome
GO:0005634 nucleus
GO:0042555 MCM complex
GO:0045120 pronucleus

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ouw, PDBe:8ouw, PDBj:8ouw
PDBsum8ouw
PubMed37590372
UniProtQ9XVR7

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