Structure of PDB 6raz Chain 4 Binding Site BS03

Receptor Information
>6raz Chain 4 (length=606) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVVWGTNVVVSQCKSKFKSFIMRFIDPSAEQDEISENINQPLYLQKLEE
IHTLEEPYLNLNCAHLKTFDQDLYRQLICYPQEVIPGFDMAINEMFFERY
PAALLEHQIQVFNADKTRNMRSLNPEDMDQLISISGMVIRSSNVIPEMRE
AFFSCNICSFSTTVEVDRGRINQPTLCTNCNTNHCFRLIHNRSEFTDKQL
VKLQESPDDMAAGQTPHNVLLYAHNDLVDKVQPGDRVTVTGIYRATPLKT
GGLSSSVKSVYKTHVDVVHFRKFPPERVELLQLLAKKPDIYDRLARAIAP
SIYENDDIKKGILLQLFGGTKKKHATLGRQNFRSEIHLLLCGDPGTSKSQ
MLQYVFNLVPRSQYTSGRGSSAVGLTAYVTKDPETRQLVLQTGALVLADN
GVCCIDEFDKMNDSTRSVLHEVMEQQTLSIAKAGIICQLNARTSILAAAN
PAESQWNKRKNIIDNVQLPHTLLSRFDLIFLVLDPQDEIFDKRLASHLVS
LYYVTRHEEEDTMFDMSVLRDYIAYAREHLSPTLSDEAQQRLIQAYVDMR
KVGAGRGQISAYPRQLESLIRLSEAHAKVRLSNQVELLDVEEAWRLHREA
LKQSAT
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=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[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6raz Chain 4 Residue 901 [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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PDB6raz Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Resolution4.46 Å
Binding residue
(original residue number in PDB)		I472 E474 P514 G515 T516 S517 K518 Q520 E577
Binding residue
(residue number reindexed from 1)		I302 E304 P344 G345 T346 S347 K348 Q350 E407
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003678 DNA helicase activity
GO:0003697 single-stranded DNA binding
GO:0004386 helicase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0043138 3'-5' DNA helicase activity
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006268 DNA unwinding involved in DNA replication
GO:0006270 DNA replication initiation
GO:0006271 DNA strand elongation involved in DNA replication
GO:0006279 premeiotic DNA replication
GO:0007052 mitotic spindle organization
GO:0032508 DNA duplex unwinding
GO:1902975 mitotic DNA replication initiation
Cellular Component
GO:0005634 nucleus
GO:0042555 MCM complex
GO:0071162 CMG complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6raz, PDBe:6raz, PDBj:6raz
PDBsum6raz
PubMed31484077
UniProtQ26454|MCM4_DROME DNA replication licensing factor MCM4 (Gene Name=dpa)

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