Structure of PDB 6ray Chain 7 Binding Site BS03

Receptor Information
>6ray Chain 7 (length=587) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRDYAQDRESIKTFLSEFCKCDDDGKKEFVYGSQLVKLAHREQVLITIDL
DDLAEFNESLAEAVVDNCRRYTSIFSDVIAELLPSALDVYIEHRLMMEQR
DERNSFPSELMKRFEVGFKPIREVKAQHIGKLVTVRVTRCTEVKPMMVVA
TETYQPVNSLSFTPVHDCPSDDCRVNKAGGRLYLQTRGSKFVKFQEVKQE
HSDQVPVGHIPRSTIMCRGEVTRMAQPGDHIVVSFLPLMGLLFLQAHRII
CINKNDEISDKDPEELEELAQDDFYERLATSLAPEIYGHLDVKKALLLLL
VGGVDKRPDGMKIRGNINICLMGDPGVAKSQLLGYISRLAVRSQYTTGRG
SSGVGLTAAVMDPLTGEMTLEGGALVLADQGVCCIDEFDKMADQDRTAIH
EVMEQQTISIAKAGIMTTLNARVSILAAANPAFGRYNPRRTVEQNIQLPA
ALLSRFDLLWLIQDKPDRDNDLRLAKHITYVHSHSKQPPTRVKALDMNLM
RRYINLCKRKNPTIPDELTDYIVGAYVELRREARNQKDMTFTSARNLLGI
LRLSTALARLRLSDSVEKDDVAEALRLLEMSKDSLNQ
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 7 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)		I344 Y345 G384 V385 A386 K387 S388 L533 I537
Binding residue
(residue number reindexed from 1)		I286 Y287 G326 V327 A328 K329 S330 L474 I478
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: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:0032508 DNA duplex unwinding
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:6ray, PDBe:6ray, PDBj:6ray
PDBsum6ray
PubMed31484077
UniProtQ9XYU0|MCM7_DROME DNA replication licensing factor Mcm7 (Gene Name=Mcm7)

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