Structure of PDB 6raw Chain 4 Binding Site BS01

Receptor Information
>6raw Chain 4 (length=608) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVWGTNVVVSQCKSKFKSFIMRFIDPSAEQDEIDVNQPLYLQKLEEIHTL
EEPYLNLNCAHLKTFDQDLYRQLICYPQEVIPGFDMAINEMFFERYPAAL
LEHQIQVRPFNADKTRNMRSLNPEDMDQLISISGMVIRSSNVIPEMREAF
FSCNICSFSTTVEVDRGRINQPTLCTNCNTNHCFRLIHNRSEFTDKQLVK
LQESPDDMAAGQTPHNVLLYAHNDLVDKVQPGDRVTVTGIYRATPLKTGG
LSSSVKSVYKTHVDVVHFRKKDHIFPPERVELLQLLAKKPDIYDRLARAI
APSIYENDDIKKGILLQLFGGTKKKHATLGRQNFRSEIHLLLCGDPGTSK
SQMLQYVFNLVPRSQYTSGRGSSAVGLTAYVTKDPETRQLVLQTGALVLA
DNGVCCIDEFDKMNDSTRSVLHEVMEQQTLSIAKAGIICQLNARTSILAA
ANPAESQWNKRKNIIDNVQLPHTLLSRFDLIFLVLDPQDEIFDKRLASHL
VSLYYVTRHEEEDTMFDMSVLRDYIAYAREHLSPTLSDEAQQRLIQAYVD
MRKVGAGRGQISAYPRQLESLIRLSEAHAKVRLSNQVELLDVEEAWRLHR
EALKQSAT
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 chain6raw 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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PDB6raw Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		I472 P514 G515 T516 S517 K518 S519 Q520
Binding residue
(residue number reindexed from 1)		I304 P346 G347 T348 S349 K350 S351 Q352
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6raw, PDBe:6raw, PDBj:6raw
PDBsum6raw
PubMed31484077
UniProtQ26454|MCM4_DROME DNA replication licensing factor MCM4 (Gene Name=dpa)

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