Structure of PDB 6rax Chain 4 Binding Site BS01

Receptor Information
>6rax Chain 4 (length=626) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLVVWGTNVVVSQCKSKFKSFIMRFIDPSAEQDEISENIDVNQPLYLQKL
EEIHTLEEPYLNLNCAHLKTFDQDLYRQLICYPQEVIPGFDMAINEMFFE
RYPAALLEHQIQVRPFNADKTRNMRSLNPEDMDQLISISGMVIRSSNVIP
EMREAFFSCNICSFSTTVEVDRGRINQPTLCTNCNTNHCFRLIHNRSEFT
DKQLVKLQESPDDMAAGQTPHNVLLYAHNDLVDKVQPGDRVTVTGIYRAT
PLKTGGLSSSVKSVYKTHVDVVHFRKVDNKRLYEDEEGKDHIFPPERVEL
LQLLAKKPDIYDRLARAIAPSIYENDDIKKGILLQLFGGTKKKHATLGRQ
NFRSEIHLLLCGDPGTSKSQMLQYVFNLVPRSQYTSGRGSSAVGLTAYVT
KDPETRQLVLQTGALVLADNGVCCIDEFDKMNDSTRSVLHEVMEQQTLSI
AKAGIICQLNARTSILAAANPAESQWNKRKNIIDNVQLPHTLLSRFDLIF
LVLDPQDEIFDKRLASHLVSLYYVTRHEEEDTMFDMSVLRDYIAYAREHL
SPTLSDEAQQRLIQAYVDMRKVGAGRGQISAYPRQLESLIRLSEAHAKVR
LSNQVELLDVEEAWRLHREALKQSAT
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 chain6rax 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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PDB6rax Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Resolution3.99 Å
Binding residue
(original residue number in PDB)		I472 P514 G515 T516 S517 S519
Binding residue
(residue number reindexed from 1)		I322 P364 G365 T366 S367 S369
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
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Cellular Component
External links
PDB RCSB:6rax, PDBe:6rax, PDBj:6rax
PDBsum6rax
PubMed31484077
UniProtQ26454|MCM4_DROME DNA replication licensing factor MCM4 (Gene Name=dpa)

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