Structure of PDB 6ray Chain 5 Binding Site BS01

Receptor Information
>6ray Chain 5 (length=577) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQQDAQINLQAVKKKYKEFIRTFNEENFFYKYRDTLKRNYLNGRYFLEIE
MEDLVGFDETLADKLNKQPTEHLEIFEEAAREVADEITAPRPEHEEHMHD
IQILLSANPTNIRQLKSDCVSKLVKIAGIIVAASGISAKATRMSIQCLSC
STVIPNLYALKCNTEQAGRPKCPLDPFFIMPDKCKCVDFQTLKLQELPDF
VPQGEIPRHLQLFCDRSLCERVVPGNRVLIQGIYSIRKVGKEKAVVGVRA
PYMRVVGITVDSEGAGAISRYTSDEEEHFRRMAASGDIYERLSQSLAPSI
FGSRDIKKAITCMLFGGSRKRLPDGLCRRGDINVLLLGDPGTAKSQLLKF
VEKVPIAVYTSGKGSSTASVMKDPQTRNFVMEGGAMVLADGGVVCIDEFD
KMREDDRVAIHEAMEQQTISIAKAGITTTLNSRCSVLAAANSIFGRWDDT
KGEENIDFMPTILSRFDMIFIVKDIHDESRDITLAKHIINVHLSSNKSAP
SEPAEGEISLSTFKKYIHYCRTHCGPRLSEAPITVRQLEVIRISESLAKI
RLQPFATDEHVNEALRLFQVSTLDAAM
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 chain6ray Chain 5 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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PDB6ray Molecular Basis for ATP-Hydrolysis-Driven DNA Translocation by the CMG Helicase of the Eukaryotic Replisome.
Resolution4.28 Å
Binding residue
(original residue number in PDB)		P380 G381 A383 K384 S385 Q386 N486 H532 I533 V536
Binding residue
(residue number reindexed from 1)		P340 G341 A343 K344 S345 Q346 N441 H487 I488 V491
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003688 DNA replication origin binding
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:0000712 resolution of meiotic recombination intermediates
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006270 DNA replication initiation
GO:0006279 premeiotic DNA replication
GO:0030261 chromosome condensation
GO:0032508 DNA duplex unwinding
GO:0042023 DNA endoreduplication
GO:0051321 meiotic cell cycle
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0032991 protein-containing complex
GO:0042555 MCM complex
GO:0043231 intracellular membrane-bounded organelle
GO:0071162 CMG complex

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6ray, PDBe:6ray, PDBj:6ray
PDBsum6ray
PubMed31484077
UniProtQ9VGW6|MCM5_DROME DNA replication licensing factor Mcm5 (Gene Name=Mcm5)

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