Structure of PDB 6ray Chain 3 Binding Site BS02

Receptor Information
>6ray Chain 3 (length=600) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EGEQFIKDIQREYVDFLDDEEDQGIYAGHVKDMIAEKSKRLIVNVNDLKR
KNPQRALGLLSNAADEQLAFGRALKEYASTVDPGYAKMHEDLFVGFRHVT
PRSLTSIYLGNMVCVEGIVTKVSLIRPKVVRSVHYCPNTRKVMERKYTDL
TSFEAVPSGAAYPTKDEDGNLLETEYGLSVYKDHQTLTIQEMPEKAPAGQ
LPRSVDIVCDDDLVDRCKPGDRVQIVGSYRCLPGKRGSGTFRTVLLANNI
SLLSKESLDISREDIMLCKKLAKNNDIFELLSKSLAPSIGHVKQAILCLL
LGGVEKILPNGTRLRGDINVLLGDPSAKSQLLRYVLNTAPRAIPTTGRGS
SGVGLTAAVTTDQETGERRLEAGAMVLADRGVVCIDEFDKMSDIDRTAIH
EVMEQGRVTISKAGIHASLNARCSVLAAANPVYGRYDQYKTPMENIGLQD
SLLSRFDLLFVMLDVIDSDVDQMISDHVVRMHRYRNPKEYEKYDALLHGK
SRQRHEKILSVEFMRKYIHIAKCMKPKLGEQACEAIANEYSRLRSQEAVE
TDVARTQPITARTLETLIRLSTAHARARMSKSVTIDDAHAAIELVQFAYF
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 chain6ray Chain 3 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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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)		I302 S343 A345 K346 S347
Binding residue
(residue number reindexed from 1)		I289 S326 A327 K328 S329
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA 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
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 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
GO:1902975 mitotic DNA replication initiation
Cellular Component
GO:0005634 nucleus
GO:0005694 chromosome
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:6ray, PDBe:6ray, PDBj:6ray
PDBsum6ray
PubMed31484077
UniProtQ9XYU1|MCM3_DROME DNA replication licensing factor Mcm3 (Gene Name=Mcm3)

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