Structure of PDB 6rax Chain 5 Binding Site BS03

Receptor Information
>6rax Chain 5 (length=620) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NQQDAQINLQAVKKKYKEFIRTFNEENFFYKYRDTLKRNYLNGRYFLEIE
MEDLVGFDETLADKLNKQPTEHLEIFEEAAREVADEITAPRPEHEEHMHD
IQILLSSNANPTNIRQLKSDCVSKLVKIAGIIVAASGISAKATRMSIQCL
SCSTVIPNLYALPRKCNTEQAGRPKCPLDPFFIMPDKCKCVDFQTLKLQE
LPDFVPQGEIPRHLQLFCDRSLCERVVPGNRVLIQGIYSIRKVGKPSRRD
GREKAVVGVRAPYMRVVGITVDSEGAGAISRYSNITSDEEEHFRRMAASG
DIYERLSQSLAPSIFGSRDIKKAITCMLFGGSRKRLPDGLCRRGDINVLL
LGDPGTAKSQLLKFVEKVPIAVYTSGKGSSTASVMKDPQTRNFVMEGAMV
LADGGVVCIDEFDKMREDDRVAIHEAMEQQTISIAKAGITTTLNSRCSVL
AAANSIFGRWDDTKGEENIDFMPTILSRFDMIFIVKDIHDESRDITLAKH
IINVHLSSNKSAPSEPAEGEISLSTFKKYIHYCRTHCGPRLSEAAGEKLK
SRYVLMRSGAGQQEKASDKRLSIPITVRQLEAVIRISESLAKIRLQPFAT
DEHVNEALRLFQVSTLDAAM
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 chain6rax 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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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)		P380 G381 T382 A383 K384 S385 Q386 L529
Binding residue
(residue number reindexed from 1)		P354 G355 T356 A357 K358 S359 Q360 L497
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:6rax, PDBe:6rax, PDBj:6rax
PDBsum6rax
PubMed31484077
UniProtQ9VGW6|MCM5_DROME DNA replication licensing factor Mcm5 (Gene Name=Mcm5)

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