Structure of PDB 6raw Chain 6 Binding Site BS03

Receptor Information
>6raw Chain 6 (length=601) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKDEVGIRAQKLFQDFLEEFKEDGEIKYTRPAASLESPDRCTLEVSFEDV
EKYDQNLATAIIEEYYHIYPFLCQSVSNYVKDRIGLKTQKDCYVAFTEVP
TRHKVRDLTTSKIGTLIRISGQVVRTHPVHPELVSGVFMCLDCQTEIRNV
EQQFKFTNPTICRNPVCSNRKRFMLDVEKSLFLDFQKIRIQETQAELPRG
CIPRAVEIILRSELVETVQAGDRYDFTGTLIVVPLAGVGTRAENLNYRMA
FLACSVQATTARFGGTDTAEDMKKQMTDAEWHKIYEMSKDRNLYQNLISS
LFPSIYGNDEVKRGILLQQFGGVAKTTTEKTSLRGDINVCIVGDPSTAKS
QFLKQVSDFSPRAIYTSGKASSAAGLTAAVVRDEESFDFVIEAGALMLAD
NGICCIDEFDKMDQRDQVAIHEAMEQQTISIARAGVRATLNARTSILAAA
NPINGRYDRSKSLQQNIQLSAPIMSRFDLFFILVDECNEVVDYAIARKIV
DLHSNIEESVERAYTREEVLRYVTFARQFKPVISQEAGHMLVENYGHLRQ
RDTGRITVRQLESMIRLSEAMAKLECSNRVLERHVKEAFRLLNKSIIRVE
Q
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 6 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)		I350 Y351 S391 A393 S395
Binding residue
(residue number reindexed from 1)		I305 Y306 S346 A348 S350
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:0043138 3'-5' DNA helicase activity
GO:0046872 metal ion binding
GO:1990518 single-stranded 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:0006279 premeiotic DNA replication
GO:0007307 eggshell chorion gene amplification
GO:0032508 DNA duplex unwinding
GO:0051301 cell division
GO:1902969 mitotic DNA replication
Cellular Component
GO:0005634 nucleus
GO:0042555 MCM complex
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
UniProtQ9V461|MCM6_DROME DNA replication licensing factor Mcm6 (Gene Name=Mcm6)

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