Structure of PDB 6raw Chain 5 Binding Site BS02

Receptor Information
>6raw Chain 5 (length=576) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
INLQAVKKKYKEFIRTFNEENFFYKYRDTLKRNYLNGRYFLEIEMEDLVG
FDETLADKLNKQPTEHLEIFEEAAREVADEITAPRPEHEEHMHDIQILLS
SNANPTNIRQLKSDCVSKLVKIAGIIVAASGISAKATRMSYALPRKCNPK
CPLDPFFIMPDKCKCVDFQTLKLQELPDFVPQGEIPRHLQLFCDRSLCER
VVPGNRVLIQGIYSIRKGVRAPYMRVVGITVDSEGAGAISRYSNITSDEE
EHFRRMAASGDIYERLSQSLAPSIFGSRDIKKAITCMLFGGSRKRLPDGL
CRRGDINVLLLGDPGTAKSQLLKFVEKVPIAVYTSGKGGLTASVMKDPQT
RNFVMEGAMVLADGGVVCIDEFDKMREDDRVAIHEAMEQQTISIAKAGIT
TTLNSRCSVLAAANSIFGRWDDTKGEENIDFMPTILSRFDMIFIVKDIHD
ESRDITLAKHIINVHLSSNKSAPSEPAEGEISLSTFKKYIHYCRTHCGPR
LSEAAGEKLKSRYVLMRSGAGQQEKASDKRITVRQLEAVIRISESLAKIR
LQPFATDEHVNEALRLFQVSTLDAAM
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 chain6raw Chain 2 Residue 902 [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)		I340 P380 T382 A383 K384 S385 Q386 I533
Binding residue
(residue number reindexed from 1)		I274 P314 T316 A317 K318 S319 Q320 I461
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6raw, PDBe:6raw, PDBj:6raw
PDBsum6raw
PubMed31484077
UniProtQ9VGW6|MCM5_DROME DNA replication licensing factor Mcm5 (Gene Name=Mcm5)

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