Structure of PDB 7p30 Chain 2 Binding Site BS03

Receptor Information
>7p30 Chain 2 (length=623) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LESLSNVKANSYSEWITQPNVSRTIARELKSFLLEYTDETGRSVYGARIR
TLGEMNSESLEVNYRHLAESKAILALFLAKCPEEMLKIFDLVAMEATELH
YPDYARIHSEIHVRISDFPTIYSLRELRESNLSSLVRVTGVVTRRTGVFP
QLKYVKFNCLKCGSILGPFFQDSNEEIRISFCTNCKSKGPFRVNGEKTVY
RNYQRVTLQEAPGTVPPGRLPRHREVILLADLVDVSKPGEEVEVTGIYKN
NYDGNLNAKNGFPVFATIIEANSIKRRVFSWTEEEEREFRKISRDRGIID
KIISSMAPSIYGHRDIKTAVACSLFGGVPKNVNGKHSIRGDINVLLLGDP
GTAKSQILKYVEKTAHRAVFATGQGASAVGLTASVRKDPITKEWTLEGGA
LVLADKGVCLIDEFDKMNDQDRTSIHEAMEQQSISISKAGIVTTLQARCS
IIAAANPNGGRYNSTLPLAQNVSLTEPILSRFDILCVVRDLVDEEADERL
ATFVVDSHVRSHPESPIPQELLMKYIHYARTKIYPKLHQMDMDKVSRVYA
DLRRESISTGSFPITVRHLESILRIAESFAKMRLSEFVSSYDLDRAIKVV
VDSFVDAQKVSVRRQLRRSFAIY
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 chain7p30 Chain 2 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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PDB7p30 Structural mechanism for the selective phosphorylation of DNA-loaded MCM double hexamers by the Dbf4-dependent kinase.
Resolution3.0 Å
Binding residue
(original residue number in PDB)
G546 T547 A548 K549 S550
Binding residue
(residue number reindexed from 1)
G351 T352 A353 K354 S355
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.4.12: DNA helicase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003682 chromatin 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:0008270 zinc ion binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0017116 single-stranded DNA helicase activity
GO:0043138 3'-5' DNA helicase activity
GO:0046872 metal ion binding
Biological Process
GO:0000727 double-strand break repair via break-induced replication
GO:0006260 DNA replication
GO:0006267 pre-replicative complex assembly involved in nuclear cell cycle 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:0006974 DNA damage response
GO:0032508 DNA duplex unwinding
GO:1902975 mitotic DNA replication initiation
GO:1905775 negative regulation of DNA helicase activity
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005656 nuclear pre-replicative complex
GO:0005737 cytoplasm
GO:0031261 DNA replication preinitiation complex
GO:0031298 replication fork protection complex
GO:0042555 MCM complex
GO:0043596 nuclear replication fork
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:7p30, PDBe:7p30, PDBj:7p30
PDBsum7p30
PubMed34963704
UniProtP29469|MCM2_YEAST DNA replication licensing factor MCM2 (Gene Name=MCM2)

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